1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one

C15H29N2O2P — CID 71135620

IUPAC1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one
SMILESCCNCCCCCC(=O)C(P)N1CCCCCC1=O
InChIInChI=1S/C15H29N2O2P/c1-2-16-11-7-3-5-9-13(18)15(20)17-12-8-4-6-10-14(17)19/h15-16H,2-12,20H2,1H3
InChIKeyKMOZFXYXLKTUDR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.33
Rot. Bonds9

About 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one

1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one (PubChem CID 71135620) has the molecular formula C15H29N2O2P and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one.

Molecular Properties

Compound Name1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one
PubChem CID71135620
Molecular FormulaC15H29N2O2P
Molecular Weight300.38 g/mol
Exact Mass300.20
IUPAC Name1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one
SMILESCCNCCCCCC(=O)C(P)N1CCCCCC1=O
InChIInChI=1S/C15H29N2O2P/c1-2-16-11-7-3-5-9-13(18)15(20)17-12-8-4-6-10-14(17)19/h15-16H,2-12,20H2,1H3
InChIKeyKMOZFXYXLKTUDR-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[9-(ethylamino)-3-methyl-4-oxononan-3-yl]azepan-2-one
CID 71052496
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
CID 159625600
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
1-propan-2-ylazonan-2-one
CID 101216305
10-(ethylamino)decanoic acid
CID 57308942
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide
CID 99792568
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
CID 134507504

Frequently Asked Questions

What is the IUPAC name of 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one?
The IUPAC name of 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one (CID 71135620) is 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one.
What is the SMILES notation for 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one?
The canonical SMILES for 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one is CCNCCCCCC(=O)C(P)N1CCCCCC1=O.
What is the InChIKey of 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one?
The InChIKey is KMOZFXYXLKTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2O2P/c1-2-16-11-7-3-5-9-13(18)15(20)17-12-8-4-6-10-14(17)19/h15-16H,2-12,20H2,1H3.
What are the key properties of 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one?
1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one has a molecular weight of 300.38 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one is sourced from PubChem (CID 71135620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).