1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C27H27N3O2 — CID 56548081

IUPAC1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H27N3O2/c28-27(32)25-14-7-17-30(25)19-23-11-4-5-13-24(23)29-26(31)16-15-20-8-6-12-22(18-20)21-9-2-1-3-10-21/h1-6,8-13,15-16,18,25H,7,14,17,19H2,(H2,28,32)(H,29,31)/b16-15+
InChIKeyMCGRKWKLXZGCCD-FOCLMDBBSA-N
MW425.53 g/mol
LogP4.46
Rot. Bonds7

About 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56548081) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56548081
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H27N3O2/c28-27(32)25-14-7-17-30(25)19-23-11-4-5-13-24(23)29-26(31)16-15-20-8-6-12-22(18-20)21-9-2-1-3-10-21/h1-6,8-13,15-16,18,25H,7,14,17,19H2,(H2,28,32)(H,29,31)/b16-15+
InChIKeyMCGRKWKLXZGCCD-FOCLMDBBSA-N
XLogP4.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide 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

1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547950
1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563725
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 86953047
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547610
1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563728
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52515061
1-[[3-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560416

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 56548081) is 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MCGRKWKLXZGCCD-FOCLMDBBSA-N. The full InChI is InChI=1S/C27H27N3O2/c28-27(32)25-14-7-17-30(25)19-23-11-4-5-13-24(23)29-26(31)16-15-20-8-6-12-22(18-20)21-9-2-1-3-10-21/h1-6,8-13,15-16,18,25H,7,14,17,19H2,(H2,28,32)(H,29,31)/b16-15+.
What are the key properties of 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56548081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).