[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid

C31H34N2O5 — CID 66939205

IUPAC[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid
SMILESC=C(CN(Cc1ccc(OC)cc1OC)C(=O)[C@@H](CC=CCc1ccccc1)NC(=O)O)c1ccccc1
InChIInChI=1S/C31H34N2O5/c1-23(25-15-8-5-9-16-25)21-33(22-26-18-19-27(37-2)20-29(26)38-3)30(34)28(32-31(35)36)17-11-10-14-24-12-6-4-7-13-24/h4-13,15-16,18-20,28,32H,1,14,17,21-22H2,2-3H3,(H,35,36)/t28-/m1/s1
InChIKeyOOOWFOKIYBGHSC-MUUNZHRXSA-N
MW514.62 g/mol
LogP5.57
Rot. Bonds13

About [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid

[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid (PubChem CID 66939205) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid
PubChem CID66939205
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid
SMILESC=C(CN(Cc1ccc(OC)cc1OC)C(=O)[C@@H](CC=CCc1ccccc1)NC(=O)O)c1ccccc1
InChIInChI=1S/C31H34N2O5/c1-23(25-15-8-5-9-16-25)21-33(22-26-18-19-27(37-2)20-29(26)38-3)30(34)28(32-31(35)36)17-11-10-14-24-12-6-4-7-13-24/h4-13,15-16,18-20,28,32H,1,14,17,21-22H2,2-3H3,(H,35,36)/t28-/m1/s1
InChIKeyOOOWFOKIYBGHSC-MUUNZHRXSA-N
XLogP5.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid 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-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid
CID 22293266
benzyl-[(2R)-1-[2-(2,3-difluorophenyl)prop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamic acid
CID 66939333
N-(benzylcarbamoyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698946
1,1-bis[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)but-3-enyl]urea
CID 144615588
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2458151
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]acetic acid
CID 127255452
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
[(2S,3R)-4-[(2,4-dimethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143955
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid (CID 66939205) is [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid is C=C(CN(Cc1ccc(OC)cc1OC)C(=O)[C@@H](CC=CCc1ccccc1)NC(=O)O)c1ccccc1.
What is the InChIKey of [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid?
The InChIKey is OOOWFOKIYBGHSC-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-23(25-15-8-5-9-16-25)21-33(22-26-18-19-27(37-2)20-29(26)38-3)30(34)28(32-31(35)36)17-11-10-14-24-12-6-4-7-13-24/h4-13,15-16,18-20,28,32H,1,14,17,21-22H2,2-3H3,(H,35,36)/t28-/m1/s1.
What are the key properties of [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid?
[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid has a molecular weight of 514.62 g/mol, XLogP of 5.57, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid is sourced from PubChem (CID 66939205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).