[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate

C20H24N2O3 — CID 140725171

IUPAC[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate
SMILESCOc1ccc(N(C)C(=O)O[C@H]2CCCN2C)c(-c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-21-13-7-10-19(21)25-20(23)22(2)18-12-11-16(24-3)14-17(18)15-8-5-4-6-9-15/h4-6,8-9,11-12,14,19H,7,10,13H2,1-3H3/t19-/m0/s1
InChIKeyAKZLFKWGCHWHRG-IBGZPJMESA-N
MW340.42 g/mol
LogP3.99
Rot. Bonds4

About [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate

[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate (PubChem CID 140725171) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate
PubChem CID140725171
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate
SMILESCOc1ccc(N(C)C(=O)O[C@H]2CCCN2C)c(-c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-21-13-7-10-19(21)25-20(23)22(2)18-12-11-16(24-3)14-17(18)15-8-5-4-6-9-15/h4-6,8-9,11-12,14,19H,7,10,13H2,1-3H3/t19-/m0/s1
InChIKeyAKZLFKWGCHWHRG-IBGZPJMESA-N
XLogP3.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-methylpyrrolidin-2-yl] N-[2-(2-fluorophenyl)phenyl]-N-methylcarbamate
CID 140725128
[2-(3-chlorophenyl)-4-methoxyphenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411430
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
[(3S)-1-methylpyrrolidin-3-yl] N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-N-methylcarbamate
CID 140725176
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate;phosphoric acid
CID 138693940
1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine
CID 67872185
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110266461
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
N-[1-[2-(4-methoxy-2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176849181
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
CID 67628200
4-methoxy-N,2-diphenylbenzamide
CID 156739257

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate (CID 140725171) is [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate is COc1ccc(N(C)C(=O)O[C@H]2CCCN2C)c(-c2ccccc2)c1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate?
The InChIKey is AKZLFKWGCHWHRG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21-13-7-10-19(21)25-20(23)22(2)18-12-11-16(24-3)14-17(18)15-8-5-4-6-9-15/h4-6,8-9,11-12,14,19H,7,10,13H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate?
[(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate has a molecular weight of 340.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl] N-(4-methoxy-2-phenylphenyl)-N-methylcarbamate is sourced from PubChem (CID 140725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).