N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide

C25H50N4O2 — CID 58260226

IUPACN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
SMILESNCCCNCCCCCCCCCC(=O)[C@@H](N)CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C25H50N4O2/c26-18-13-20-28-19-11-5-3-1-2-4-9-17-24(30)23(27)16-10-12-21-29-25(31)22-14-7-6-8-15-22/h22-23,28H,1-21,26-27H2,(H,29,31)/t23-/m0/s1
InChIKeyNGRVYDWNHOVNHP-QHCPKHFHSA-N
MW438.70 g/mol
LogP3.81
Rot. Bonds20

About N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide

N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide (PubChem CID 58260226) has the molecular formula C25H50N4O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
PubChem CID58260226
Molecular FormulaC25H50N4O2
Molecular Weight438.70 g/mol
Exact Mass438.39
IUPAC NameN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
SMILESNCCCNCCCCCCCCCC(=O)[C@@H](N)CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C25H50N4O2/c26-18-13-20-28-19-11-5-3-1-2-4-9-17-24(30)23(27)16-10-12-21-29-25(31)22-14-7-6-8-15-22/h22-23,28H,1-21,26-27H2,(H,29,31)/t23-/m0/s1
InChIKeyNGRVYDWNHOVNHP-QHCPKHFHSA-N
XLogP3.81
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.70
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
CID 72568812
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
CID 58260284
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
CID 58260252
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
CID 77052783

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide (CID 58260226) is N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide is NCCCNCCCCCCCCCC(=O)[C@@H](N)CCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide?
The InChIKey is NGRVYDWNHOVNHP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H50N4O2/c26-18-13-20-28-19-11-5-3-1-2-4-9-17-24(30)23(27)16-10-12-21-29-25(31)22-14-7-6-8-15-22/h22-23,28H,1-21,26-27H2,(H,29,31)/t23-/m0/s1.
What are the key properties of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide?
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide has a molecular weight of 438.70 g/mol, XLogP of 3.81, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide is sourced from PubChem (CID 58260226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).