N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide

C19H22N2O3 — CID 95180599

IUPACN-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccoc1
InChIInChI=1S/C19H22N2O3/c22-18(13-20-19(23)17-9-12-24-14-17)21-10-4-7-16(8-11-21)15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyYHVBLVNFSDVMCI-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds4

About N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide

N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide (PubChem CID 95180599) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
PubChem CID95180599
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccoc1
InChIInChI=1S/C19H22N2O3/c22-18(13-20-19(23)17-9-12-24-14-17)21-10-4-7-16(8-11-21)15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyYHVBLVNFSDVMCI-MRXNPFEDSA-N
XLogP2.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 55816213
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 39581113
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]furan-3-carboxamide
CID 71942102
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
4-methylsulfanyl-3-nitro-N-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 119041016
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide (CID 95180599) is N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide is O=C(NCC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccoc1.
What is the InChIKey of N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is YHVBLVNFSDVMCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(13-20-19(23)17-9-12-24-14-17)21-10-4-7-16(8-11-21)15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide?
N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 95180599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).