N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide

C29H60N4O2 — CID 11699408

IUPACN-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
SMILESCCCCCCCCCCCCCCCCCCNCCCC(=O)NCC(=O)NCCCCCN
InChIInChI=1S/C29H60N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-25-21-22-28(34)33-27-29(35)32-26-20-17-18-23-30/h31H,2-27,30H2,1H3,(H,32,35)(H,33,34)
InChIKeyLPWJSRRBSZDLLG-UHFFFAOYSA-N
MW496.83 g/mol
LogP5.98
Rot. Bonds28

About N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide

N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide (PubChem CID 11699408) has the molecular formula C29H60N4O2 and a molecular weight of 496.83 g/mol. Its IUPAC name is N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide.

Molecular Properties

Compound NameN-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
PubChem CID11699408
Molecular FormulaC29H60N4O2
Molecular Weight496.83 g/mol
Exact Mass496.47
IUPAC NameN-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
SMILESCCCCCCCCCCCCCCCCCCNCCCC(=O)NCC(=O)NCCCCCN
InChIInChI=1S/C29H60N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-25-21-22-28(34)33-27-29(35)32-26-20-17-18-23-30/h31H,2-27,30H2,1H3,(H,32,35)(H,33,34)
InChIKeyLPWJSRRBSZDLLG-UHFFFAOYSA-N
XLogP5.98
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.83
LogP ≤ 55.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 171117181
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(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
11-amino-N-butylundecanamide;11-[[2-(hexanoylamino)acetyl]amino]-N-sulfanylundecanamide
CID 145001937
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5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide
CID 87957327
(Z)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]octadec-9-enamide
CID 10819608
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
CID 102194596
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide?
The IUPAC name of N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide (CID 11699408) is N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide.
What is the SMILES notation for N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide?
The canonical SMILES for N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide is CCCCCCCCCCCCCCCCCCNCCCC(=O)NCC(=O)NCCCCCN.
What is the InChIKey of N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide?
The InChIKey is LPWJSRRBSZDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-25-21-22-28(34)33-27-29(35)32-26-20-17-18-23-30/h31H,2-27,30H2,1H3,(H,32,35)(H,33,34).
What are the key properties of N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide?
N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide has a molecular weight of 496.83 g/mol, XLogP of 5.98, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide is sourced from PubChem (CID 11699408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).