5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide

C73H140N6O5 — CID 167696245

IUPAC5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide
SMILESCCCCCCCC/C=C\CCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCC/C=C\CCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN
InChIInChI=1S/C73H140N6O5/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-45-49-55-61-76(65-69(75)80)71(82)67-78(63-57-51-47-42-28-24-20-16-12-8-4)73(84)68-79(64-58-52-48-44-40-38-36-34-32-30-26-22-18-14-10-6-2)72(83)66-77(70(81)59-53-54-60-74)62-56-50-46-41-27-23-19-15-11-7-3/h31-34H,5-30,35-68,74H2,1-4H3,(H2,75,80)/b33-31-,34-32-
InChIKeyXRUBAYJADOIGJI-WANSBIPISA-N
MW1181.96 g/mol
LogP18.83
Rot. Bonds66

About 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide

5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide (PubChem CID 167696245) has the molecular formula C73H140N6O5 and a molecular weight of 1181.96 g/mol. Its IUPAC name is 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide
PubChem CID167696245
Molecular FormulaC73H140N6O5
Molecular Weight1181.96 g/mol
Exact Mass1181.09
IUPAC Name5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide
SMILESCCCCCCCC/C=C\CCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCC/C=C\CCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN
InChIInChI=1S/C73H140N6O5/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-45-49-55-61-76(65-69(75)80)71(82)67-78(63-57-51-47-42-28-24-20-16-12-8-4)73(84)68-79(64-58-52-48-44-40-38-36-34-32-30-26-22-18-14-10-6-2)72(83)66-77(70(81)59-53-54-60-74)62-56-50-46-41-27-23-19-15-11-7-3/h31-34H,5-30,35-68,74H2,1-4H3,(H2,75,80)/b33-31-,34-32-
InChIKeyXRUBAYJADOIGJI-WANSBIPISA-N
XLogP18.83
TPSA150.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds66
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.96
LogP ≤ 518.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide with MolForge

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Related Compounds

5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
CID 167560323
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(2-amino-2-oxoethyl)-[(Z)-octadec-6-enyl]carbamic acid
CID 87240957
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-N-decyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanamide
CID 167567561
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
[3-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]-3-oxopropyl] 5-aminopentanoate
CID 139565762
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N',N'-dioctylhexanediamide
CID 53437404
decan-1-amine;dodecan-1-amine;hexadecan-1-amine;hexadecan-1-ol;icosan-1-ol;octadec-9-enamide;octan-1-amine;tridecan-1-amine
CID 173402399
5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide
CID 167546882
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide?
The IUPAC name of 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide (CID 167696245) is 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide.
What is the SMILES notation for 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide?
The canonical SMILES for 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide is CCCCCCCC/C=C\CCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCC/C=C\CCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN.
What is the InChIKey of 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide?
The InChIKey is XRUBAYJADOIGJI-WANSBIPISA-N. The full InChI is InChI=1S/C73H140N6O5/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-45-49-55-61-76(65-69(75)80)71(82)67-78(63-57-51-47-42-28-24-20-16-12-8-4)73(84)68-79(64-58-52-48-44-40-38-36-34-32-30-26-22-18-14-10-6-2)72(83)66-77(70(81)59-53-54-60-74)62-56-50-46-41-27-23-19-15-11-7-3/h31-34H,5-30,35-68,74H2,1-4H3,(H2,75,80)/b33-31-,34-32-.
What are the key properties of 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide?
5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide has a molecular weight of 1181.96 g/mol, XLogP of 18.83, 66 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide is sourced from PubChem (CID 167696245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).