N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide

C16H17NO3 — CID 95624806

IUPACN-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)c1ccco1
InChIInChI=1S/C16H17NO3/c18-16(15-10-5-11-19-15)17-13-8-4-9-14(13)20-12-6-2-1-3-7-12/h1-3,5-7,10-11,13-14H,4,8-9H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyHKVZIHRPQAYZSB-KGLIPLIRSA-N
MW271.32 g/mol
LogP3.01
Rot. Bonds4

About N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide

N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide (PubChem CID 95624806) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
PubChem CID95624806
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)c1ccco1
InChIInChI=1S/C16H17NO3/c18-16(15-10-5-11-19-15)17-13-8-4-9-14(13)20-12-6-2-1-3-7-12/h1-3,5-7,10-11,13-14H,4,8-9H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyHKVZIHRPQAYZSB-KGLIPLIRSA-N
XLogP3.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[(3S,3aS,6S,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-2-carboxamide
CID 162951488
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
5-(methoxymethyl)-N-(2-phenoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 75374447
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
CID 97220209
[(3S,3aR,6R,6aS)-3-(furan-2-carbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-phenoxyphenyl)carbamate
CID 11884020
1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
CID 99774065
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
CID 124840703

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide (CID 95624806) is N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide is O=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)c1ccco1.
What is the InChIKey of N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide?
The InChIKey is HKVZIHRPQAYZSB-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(15-10-5-11-19-15)17-13-8-4-9-14(13)20-12-6-2-1-3-7-12/h1-3,5-7,10-11,13-14H,4,8-9H2,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide?
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide is sourced from PubChem (CID 95624806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).