N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C23H28N2O2 — CID 118762065

IUPACN-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C23H28N2O2/c26-22(23(13-4-5-14-23)25-15-6-7-16-25)24-18-19-9-8-12-21(17-19)27-20-10-2-1-3-11-20/h1-3,8-12,17H,4-7,13-16,18H2,(H,24,26)
InChIKeyJNIMVKOLZLDYMJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.50
Rot. Bonds6

About N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 118762065) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID118762065
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C23H28N2O2/c26-22(23(13-4-5-14-23)25-15-6-7-16-25)24-18-19-9-8-12-21(17-19)27-20-10-2-1-3-11-20/h1-3,8-12,17H,4-7,13-16,18H2,(H,24,26)
InChIKeyJNIMVKOLZLDYMJ-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39576210
1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 136522349
N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131897762
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-phenoxyphenyl)methyl]acetamide
CID 51656467
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39577030
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348853

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 118762065) is N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NCc1cccc(Oc2ccccc2)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is JNIMVKOLZLDYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(23(13-4-5-14-23)25-15-6-7-16-25)24-18-19-9-8-12-21(17-19)27-20-10-2-1-3-11-20/h1-3,8-12,17H,4-7,13-16,18H2,(H,24,26).
What are the key properties of N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 118762065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).