benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C21H24N2O5 — CID 3239403

IUPACbenzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-16-10-11-17(19(13-16)27-2)22-20(24)18-9-6-12-23(18)21(25)28-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeySRLKHUZOIVQNPL-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.44
Rot. Bonds6

About benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3239403) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3239403
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namebenzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-16-10-11-17(19(13-16)27-2)22-20(24)18-9-6-12-23(18)21(25)28-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeySRLKHUZOIVQNPL-UHFFFAOYSA-N
XLogP3.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-phenylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 44310286
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
CID 4780403
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
CID 4883620
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 44590341
2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 44590403
2-m-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid phenyl ester
CID 551117
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2901762
{(S)-1-[2-(4-Methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 11144121
((S)-3-Methyl-1-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-ethylcarbamoyl}-butyl)-carbamic acid benzyl ester
CID 44303290
N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-methoxyphenyl]acetamide
CID 68817337
Pyrrolidine-1,2-dicarboxylic acid 2-benzylamide 1-[(2-methoxy-phenyl)-amide]
CID 644676
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-[(2-methoxy-phenyl)-amide]
CID 653430

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3239403) is benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1.
What is the InChIKey of benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SRLKHUZOIVQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-16-10-11-17(19(13-16)27-2)22-20(24)18-9-6-12-23(18)21(25)28-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24).
What are the key properties of benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3239403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).