N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide

C12H24N2O2 — CID 134583654

IUPACN-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
SMILESCC(=O)NCCCC[C@H](NC(C)C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)14-12(10(3)15)7-5-6-8-13-11(4)16/h9,12,14H,5-8H2,1-4H3,(H,13,16)/t12-/m0/s1
InChIKeyCHCJFPQPJAASBD-LBPRGKRZSA-N
MW228.34 g/mol
LogP1.25
Rot. Bonds8

About N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide

N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide (PubChem CID 134583654) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide.

Molecular Properties

Compound NameN-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
PubChem CID134583654
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
SMILESCC(=O)NCCCC[C@H](NC(C)C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)14-12(10(3)15)7-5-6-8-13-11(4)16/h9,12,14H,5-8H2,1-4H3,(H,13,16)/t12-/m0/s1
InChIKeyCHCJFPQPJAASBD-LBPRGKRZSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
CID 146520641
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
6-[[2-[3-acetamidopropanoyl-[2-[[6-amino-6-oxo-5-(propan-2-ylamino)hexyl]amino]-2-oxoethyl]amino]acetyl]amino]-2-(propan-2-ylamino)hexanamide
CID 158594043
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
2-methyl-8-(methylamino)-4-(propan-2-ylamino)octan-3-one
CID 139435461
2,6-diacetamidohexanoate
CID 78438708
2-methyl-4-(propan-2-ylamino)-8-(sulfanylamino)octan-3-one
CID 146513972
N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
CID 59260631
(2S)-2-(hexadecanoylamino)-5-oxo-5-[[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]amino]pentanoic acid
CID 139516784
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide?
The IUPAC name of N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide (CID 134583654) is N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide.
What is the SMILES notation for N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide?
The canonical SMILES for N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide is CC(=O)NCCCC[C@H](NC(C)C)C(C)=O.
What is the InChIKey of N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide?
The InChIKey is CHCJFPQPJAASBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14-12(10(3)15)7-5-6-8-13-11(4)16/h9,12,14H,5-8H2,1-4H3,(H,13,16)/t12-/m0/s1.
What are the key properties of N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide?
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide is sourced from PubChem (CID 134583654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).