(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C21H26N2O2 — CID 35528693

IUPAC(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(18-10-12-19(25-2)13-11-18)22-21(24)20-9-6-14-23(20)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20-/m1/s1
InChIKeyVGQRCMROXSYUNO-OXQOHEQNSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds6

About (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 35528693) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID35528693
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(18-10-12-19(25-2)13-11-18)22-21(24)20-9-6-14-23(20)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20-/m1/s1
InChIKeyVGQRCMROXSYUNO-OXQOHEQNSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 97006888
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 90353917
4-[(1S)-1-[[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 71186628
4-[(1S)-1-[[(2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 86731631
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide
CID 60578936
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 35528693) is (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VGQRCMROXSYUNO-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(18-10-12-19(25-2)13-11-18)22-21(24)20-9-6-14-23(20)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 35528693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).