N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide

C19H22N2O3 — CID 6541130

IUPACN-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(N[C@H](C(=O)c1ccccc1)N1CCCCCC1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-17(15-9-4-3-5-10-15)18(21-12-6-1-2-7-13-21)20-19(23)16-11-8-14-24-16/h3-5,8-11,14,18H,1-2,6-7,12-13H2,(H,20,23)/t18-/m0/s1
InChIKeyNKZWAUXPSDPBMX-SFHVURJKSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds5

About N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide

N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide (PubChem CID 6541130) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
PubChem CID6541130
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(N[C@H](C(=O)c1ccccc1)N1CCCCCC1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-17(15-9-4-3-5-10-15)18(21-12-6-1-2-7-13-21)20-19(23)16-11-8-14-24-16/h3-5,8-11,14,18H,1-2,6-7,12-13H2,(H,20,23)/t18-/m0/s1
InChIKeyNKZWAUXPSDPBMX-SFHVURJKSA-N
XLogP3.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 805573
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
N-(3-methyl-2-piperidin-1-ylbutyl)furan-2-carboxamide
CID 110402831
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 44615045
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428
N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2481546
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
CID 7085502

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide (CID 6541130) is N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide is O=C(N[C@H](C(=O)c1ccccc1)N1CCCCCC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The InChIKey is NKZWAUXPSDPBMX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(15-9-4-3-5-10-15)18(21-12-6-1-2-7-13-21)20-19(23)16-11-8-14-24-16/h3-5,8-11,14,18H,1-2,6-7,12-13H2,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide?
N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 6541130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).