[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid

C24H28N2O5 — CID 22293266

IUPAC[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid
SMILESC=CCC(NC(=O)O)C(=O)N(CC(=C)c1ccccc1)Cc1ccc(OC)cc1OC
InChIInChI=1S/C24H28N2O5/c1-5-9-21(25-24(28)29)23(27)26(15-17(2)18-10-7-6-8-11-18)16-19-12-13-20(30-3)14-22(19)31-4/h5-8,10-14,21,25H,1-2,9,15-16H2,3-4H3,(H,28,29)
InChIKeyRYEQCLHADPJQQJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.96
Rot. Bonds11

About [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid

[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid (PubChem CID 22293266) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid
PubChem CID22293266
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid
SMILESC=CCC(NC(=O)O)C(=O)N(CC(=C)c1ccccc1)Cc1ccc(OC)cc1OC
InChIInChI=1S/C24H28N2O5/c1-5-9-21(25-24(28)29)23(27)26(15-17(2)18-10-7-6-8-11-18)16-19-12-13-20(30-3)14-22(19)31-4/h5-8,10-14,21,25H,1-2,9,15-16H2,3-4H3,(H,28,29)
InChIKeyRYEQCLHADPJQQJ-UHFFFAOYSA-N
XLogP3.96
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxo-6-phenylhex-4-en-2-yl]carbamic acid
CID 66939205
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
1,1-bis[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)but-3-enyl]urea
CID 144615588
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878
N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide
CID 143222329
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
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
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
2-[2-chloro-N-[(2,4-dimethoxyphenyl)methyl]anilino]acetic acid
CID 69368554

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The IUPAC name of [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid (CID 22293266) is [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The canonical SMILES for [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid is C=CCC(NC(=O)O)C(=O)N(CC(=C)c1ccccc1)Cc1ccc(OC)cc1OC.
What is the InChIKey of [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The InChIKey is RYEQCLHADPJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-5-9-21(25-24(28)29)23(27)26(15-17(2)18-10-7-6-8-11-18)16-19-12-13-20(30-3)14-22(19)31-4/h5-8,10-14,21,25H,1-2,9,15-16H2,3-4H3,(H,28,29).
What are the key properties of [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid?
[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid has a molecular weight of 424.50 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid is sourced from PubChem (CID 22293266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).