N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C21H25NO4 — CID 2788614

IUPACN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyVGPWFURYTANLFD-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.53
Rot. Bonds9

About N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 2788614) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID2788614
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyVGPWFURYTANLFD-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2165276
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 103598851
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 2788614) is N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is CCCCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is VGPWFURYTANLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6-13,15H,4-5,14H2,1-3H3,(H,22,23).
What are the key properties of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2788614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).