N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide

C22H26N2O4 — CID 33027219

IUPACN-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)13-22(26)24-18-9-7-17(8-10-18)23-21(25)12-6-16-5-11-19(27-3)14-20(16)28-4/h5-12,14-15H,13H2,1-4H3,(H,23,25)(H,24,26)/b12-6+
InChIKeyDJLIQMVORDZMSL-WUXMJOGZSA-N
MW382.46 g/mol
LogP4.34
Rot. Bonds8

About N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide

N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide (PubChem CID 33027219) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
PubChem CID33027219
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)13-22(26)24-18-9-7-17(8-10-18)23-21(25)12-6-16-5-11-19(27-3)14-20(16)28-4/h5-12,14-15H,13H2,1-4H3,(H,23,25)(H,24,26)/b12-6+
InChIKeyDJLIQMVORDZMSL-WUXMJOGZSA-N
XLogP4.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331459
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 30839842
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide (CID 33027219) is N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide is COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(OC)c1.
What is the InChIKey of N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is DJLIQMVORDZMSL-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)13-22(26)24-18-9-7-17(8-10-18)23-21(25)12-6-16-5-11-19(27-3)14-20(16)28-4/h5-12,14-15H,13H2,1-4H3,(H,23,25)(H,24,26)/b12-6+.
What are the key properties of N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 382.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 33027219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).