[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone

C32H38N2O2 — CID 134532585

IUPAC[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C32H38N2O2/c1-32(2,3)25-15-17-29(36-4)24(19-25)21-33-30-18-16-28(23-13-9-6-10-14-23)34(30)31(35)27-20-26(27)22-11-7-5-8-12-22/h5-15,17,19,26-28,30,33H,16,18,20-21H2,1-4H3
InChIKeyJWZSRVLFEPDWCG-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.58
Rot. Bonds7

About [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone

[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 134532585) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID134532585
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C32H38N2O2/c1-32(2,3)25-15-17-29(36-4)24(19-25)21-33-30-18-16-28(23-13-9-6-10-14-23)34(30)31(35)27-20-26(27)22-11-7-5-8-12-22/h5-15,17,19,26-28,30,33H,16,18,20-21H2,1-4H3
InChIKeyJWZSRVLFEPDWCG-UHFFFAOYSA-N
XLogP6.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone 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

3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one
CID 134532615
1-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-3-methyl-2-(2-methylphenoxy)butan-1-one
CID 134532511
[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 134532608
(2S,3S,4S,5S)-1-[2-(azetidine-1-carbonyl)cyclohexanecarbonyl]-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858861
1-[2-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]-5-phenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134532749
propan-2-yl 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]-5-phenylpyrrolidine-1-carboxylate
CID 134532643
[2-[(4-chloro-2-fluoro-5-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-cyclohexylmethanone
CID 134532495
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(2-cyclohexyl-2-methoxyacetyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 140859349
(2S,3S,4S,5S)-1-(benzenesulfonyl)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858613
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(cyclohexanecarbonyl)-N-methylsulfonyl-5-phenylpyrrolidine-2-carboxamide
CID 140858664
methyl 4-[4-methoxy-3-[[(2-phenylpiperidin-1-yl)amino]methyl]phenyl]-4-methylpent-2-ynoate
CID 67660167
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169

Frequently Asked Questions

What is the IUPAC name of [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 134532585) is [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is COc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)C1CC1c1ccccc1.
What is the InChIKey of [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is JWZSRVLFEPDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-32(2,3)25-15-17-29(36-4)24(19-25)21-33-30-18-16-28(23-13-9-6-10-14-23)34(30)31(35)27-20-26(27)22-11-7-5-8-12-22/h5-15,17,19,26-28,30,33H,16,18,20-21H2,1-4H3.
What are the key properties of [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone?
[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 482.67 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 134532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).