(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide

C19H22N2O2 — CID 91514351

IUPAC(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCC1CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(N)=O
InChIInChI=1S/C19H22N2O2/c1-14-7-12-18(21(14)19(20)22)16-8-10-17(11-9-16)23-13-15-5-3-2-4-6-15/h2-6,8-11,14,18H,7,12-13H2,1H3,(H2,20,22)/t14?,18-/m0/s1
InChIKeyWHKAMGJKWLYVGX-IBYPIGCZSA-N
MW310.40 g/mol
LogP3.87
Rot. Bonds4

About (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide

(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 91514351) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID91514351
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCC1CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(N)=O
InChIInChI=1S/C19H22N2O2/c1-14-7-12-18(21(14)19(20)22)16-8-10-17(11-9-16)23-13-15-5-3-2-4-6-15/h2-6,8-11,14,18H,7,12-13H2,1H3,(H2,20,22)/t14?,18-/m0/s1
InChIKeyWHKAMGJKWLYVGX-IBYPIGCZSA-N
XLogP3.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66700307
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
tert-butyl (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 169114013
benzyl (2R,5R)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084081
benzyl (2R,5S)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084082
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide (CID 91514351) is (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is CC1CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(N)=O.
What is the InChIKey of (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WHKAMGJKWLYVGX-IBYPIGCZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-12-18(21(14)19(20)22)16-8-10-17(11-9-16)23-13-15-5-3-2-4-6-15/h2-6,8-11,14,18H,7,12-13H2,1H3,(H2,20,22)/t14?,18-/m0/s1.
What are the key properties of (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide?
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91514351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).