(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide

C19H21NO — CID 18737343

IUPAC(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
SMILESCCCN(C)C(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-15-20(2)19(21)14-11-16-9-12-18(13-10-16)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b14-11+
InChIKeyCQYABZAKUOJVOE-SDNWHVSQSA-N
MW279.38 g/mol
LogP4.24
Rot. Bonds5

About (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide

(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide (PubChem CID 18737343) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
PubChem CID18737343
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
SMILESCCCN(C)C(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-15-20(2)19(21)14-11-16-9-12-18(13-10-16)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b14-11+
InChIKeyCQYABZAKUOJVOE-SDNWHVSQSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-phenylprop-2-enamide
CID 82104134
3-[4-[methyl(propyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971533
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
(E)-N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methylphenyl)prop-2-enamide
CID 82104135
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
ethyl 3-[3-(4-chlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923124
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide (CID 18737343) is (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide is CCCN(C)C(=O)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide?
The InChIKey is CQYABZAKUOJVOE-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-15-20(2)19(21)14-11-16-9-12-18(13-10-16)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b14-11+.
What are the key properties of (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide?
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 18737343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).