1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

C23H28N2O5 — CID 47720144

IUPAC1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN2C(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-19-12-17(13-20(29-2)22(19)30-3)15-24-23(27)18-10-7-11-25(18)21(26)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14-15H2,1-3H3,(H,24,27)
InChIKeyZZUDHEWARLCMAL-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.56
Rot. Bonds8

About 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 47720144) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID47720144
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN2C(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-19-12-17(13-20(29-2)22(19)30-3)15-24-23(27)18-10-7-11-25(18)21(26)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14-15H2,1-3H3,(H,24,27)
InChIKeyZZUDHEWARLCMAL-UHFFFAOYSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 2973401
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N-benzyl-1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110625844
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
1-[2-(3-fluoro-4-methoxyphenyl)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 47022865
methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 47720144) is 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1cc(CNC(=O)C2CCCN2C(=O)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZZUDHEWARLCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-19-12-17(13-20(29-2)22(19)30-3)15-24-23(27)18-10-7-11-25(18)21(26)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14-15H2,1-3H3,(H,24,27).
What are the key properties of 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47720144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).