N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide

C18H32N2O2 — CID 97027395

IUPACN-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
SMILESCCC[C@@H]1CCCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-3-7-15-8-6-12-20(13-11-15)18(22)17(19-14(2)21)16-9-4-5-10-16/h15-17H,3-13H2,1-2H3,(H,19,21)/t15-,17+/m1/s1
InChIKeyDNNPNTPFXIJCKK-WBVHZDCISA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds5

About N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide

N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide (PubChem CID 97027395) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
PubChem CID97027395
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
SMILESCCC[C@@H]1CCCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-3-7-15-8-6-12-20(13-11-15)18(22)17(19-14(2)21)16-9-4-5-10-16/h15-17H,3-13H2,1-2H3,(H,19,21)/t15-,17+/m1/s1
InChIKeyDNNPNTPFXIJCKK-WBVHZDCISA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide (CID 97027395) is N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide is CCC[C@@H]1CCCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide?
The InChIKey is DNNPNTPFXIJCKK-WBVHZDCISA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-7-15-8-6-12-20(13-11-15)18(22)17(19-14(2)21)16-9-4-5-10-16/h15-17H,3-13H2,1-2H3,(H,19,21)/t15-,17+/m1/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide?
N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide has a molecular weight of 308.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide is sourced from PubChem (CID 97027395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).