2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide

C16H27N3O3 — CID 91908924

IUPAC2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
SMILESCCC1(C(=O)NCCCN2CCCC2=O)CCCCC(=O)N1
InChIInChI=1S/C16H27N3O3/c1-2-16(9-4-3-7-13(20)18-16)15(22)17-10-6-12-19-11-5-8-14(19)21/h2-12H2,1H3,(H,17,22)(H,18,20)
InChIKeyVDACWEQPHCNXIP-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.95
Rot. Bonds6

About 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide

2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide (PubChem CID 91908924) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
PubChem CID91908924
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
SMILESCCC1(C(=O)NCCCN2CCCC2=O)CCCCC(=O)N1
InChIInChI=1S/C16H27N3O3/c1-2-16(9-4-3-7-13(20)18-16)15(22)17-10-6-12-19-11-5-8-14(19)21/h2-12H2,1H3,(H,17,22)(H,18,20)
InChIKeyVDACWEQPHCNXIP-UHFFFAOYSA-N
XLogP0.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.95
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-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
CID 91919456
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 47025991
(E)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 98444091
3-(1-hydroxycyclohexyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-ynamide
CID 134852898
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide?
The IUPAC name of 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide (CID 91908924) is 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide.
What is the SMILES notation for 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide?
The canonical SMILES for 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide is CCC1(C(=O)NCCCN2CCCC2=O)CCCCC(=O)N1.
What is the InChIKey of 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide?
The InChIKey is VDACWEQPHCNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-2-16(9-4-3-7-13(20)18-16)15(22)17-10-6-12-19-11-5-8-14(19)21/h2-12H2,1H3,(H,17,22)(H,18,20).
What are the key properties of 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide?
2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide is sourced from PubChem (CID 91908924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).