(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide

C18H32N2O3 — CID 97095327

IUPAC(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C18H32N2O3/c1-2-16(23-15-9-5-6-10-15)18(22)19-12-11-17(21)20-13-7-3-4-8-14-20/h15-16H,2-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyFCBKEQPEYSSEOX-INIZCTEOSA-N
MW324.47 g/mol
LogP2.63
Rot. Bonds7

About (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide

(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide (PubChem CID 97095327) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
PubChem CID97095327
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C18H32N2O3/c1-2-16(23-15-9-5-6-10-15)18(22)19-12-11-17(21)20-13-7-3-4-8-14-20/h15-16H,2-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyFCBKEQPEYSSEOX-INIZCTEOSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447644
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
2-cyclohexyloxy-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120654844
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 111422434
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide?
The IUPAC name of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide (CID 97095327) is (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide.
What is the SMILES notation for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide?
The canonical SMILES for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide is CC[C@H](OC1CCCC1)C(=O)NCCC(=O)N1CCCCCC1.
What is the InChIKey of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide?
The InChIKey is FCBKEQPEYSSEOX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-16(23-15-9-5-6-10-15)18(22)19-12-11-17(21)20-13-7-3-4-8-14-20/h15-16H,2-14H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide?
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide has a molecular weight of 324.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide is sourced from PubChem (CID 97095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).