3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide

C13H26N2O2 — CID 170086271

IUPAC3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
SMILESCN[C@@H](CCCCNC(=O)CC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-10(2)9-13(17)15-8-6-5-7-12(14-4)11(3)16/h10,12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyFWORPBDPNRAEHO-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.50
Rot. Bonds9

About 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide

3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide (PubChem CID 170086271) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
PubChem CID170086271
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
SMILESCN[C@@H](CCCCNC(=O)CC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-10(2)9-13(17)15-8-6-5-7-12(14-4)11(3)16/h10,12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyFWORPBDPNRAEHO-LBPRGKRZSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.50
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

N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
CID 146520641
carbanide;(3R)-3-[[4-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-4-oxobutanoyl]amino]butanoic acid;nickel
CID 170732747
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
5-[[1-carboxy-4-[[5-(methylamino)-6-oxoheptyl]amino]-4-oxobutyl]amino]-2-(2-chloro-2-oxoethyl)-5-oxopentanoic acid
CID 126757815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide?
The IUPAC name of 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide (CID 170086271) is 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide is CN[C@@H](CCCCNC(=O)CC(C)C)C(C)=O.
What is the InChIKey of 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide?
The InChIKey is FWORPBDPNRAEHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-13(17)15-8-6-5-7-12(14-4)11(3)16/h10,12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide?
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide is sourced from PubChem (CID 170086271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).