5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide

C15H30N4O3 — CID 126757813

IUPAC5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
SMILESCNC(CCCCNC(=O)C(N)CCCNC(C)=O)C(C)=O
InChIInChI=1S/C15H30N4O3/c1-11(20)14(17-3)8-4-5-9-19-15(22)13(16)7-6-10-18-12(2)21/h13-14,17H,4-10,16H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOPLVSSKXVXGTJY-UHFFFAOYSA-N
MW314.43 g/mol
LogP-0.31
Rot. Bonds12

About 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide

5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide (PubChem CID 126757813) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide.

Molecular Properties

Compound Name5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
PubChem CID126757813
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
SMILESCNC(CCCCNC(=O)C(N)CCCNC(C)=O)C(C)=O
InChIInChI=1S/C15H30N4O3/c1-11(20)14(17-3)8-4-5-9-19-15(22)13(16)7-6-10-18-12(2)21/h13-14,17H,4-10,16H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOPLVSSKXVXGTJY-UHFFFAOYSA-N
XLogP-0.31
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.31
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-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
CID 175463693
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
CID 161482186
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide?
The IUPAC name of 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide (CID 126757813) is 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide.
What is the SMILES notation for 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide?
The canonical SMILES for 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide is CNC(CCCCNC(=O)C(N)CCCNC(C)=O)C(C)=O.
What is the InChIKey of 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide?
The InChIKey is OPLVSSKXVXGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-11(20)14(17-3)8-4-5-9-19-15(22)13(16)7-6-10-18-12(2)21/h13-14,17H,4-10,16H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide?
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide has a molecular weight of 314.43 g/mol, XLogP of -0.31, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide is sourced from PubChem (CID 126757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).