N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide

C11H22N2O2 — CID 170089451

IUPACN-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
SMILESCCC(=O)NCCCC[C@@H](NC)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-4-11(15)13-8-6-5-7-10(12-3)9(2)14/h10,12H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyXPCOXXZDUJNHLZ-SNVBAGLBSA-N
MW214.31 g/mol
LogP0.86
Rot. Bonds8

About N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide

N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide (PubChem CID 170089451) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide.

Molecular Properties

Compound NameN-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
PubChem CID170089451
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
SMILESCCC(=O)NCCCC[C@@H](NC)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-4-11(15)13-8-6-5-7-10(12-3)9(2)14/h10,12H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyXPCOXXZDUJNHLZ-SNVBAGLBSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.86
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-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
3-(methylamino)nonan-2-one
CID 21024660
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
carbanide;(3R)-3-[[4-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-4-oxobutanoyl]amino]butanoic acid;nickel
CID 170732747
(4S)-4-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]-5-oxohexanoic acid
CID 170409546

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide?
The IUPAC name of N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide (CID 170089451) is N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide.
What is the SMILES notation for N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide?
The canonical SMILES for N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide is CCC(=O)NCCCC[C@@H](NC)C(C)=O.
What is the InChIKey of N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide?
The InChIKey is XPCOXXZDUJNHLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(15)13-8-6-5-7-10(12-3)9(2)14/h10,12H,4-8H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide?
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide is sourced from PubChem (CID 170089451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).