N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide

C19H19NO — CID 175521357

IUPACN-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C(=C)c1ccc(C)cc1
InChIInChI=1S/C19H19NO/c1-4-19(21)20(14-17-8-6-5-7-9-17)16(3)18-12-10-15(2)11-13-18/h4-13H,1,3,14H2,2H3
InChIKeySRVSBIYCRQRDHQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.18
Rot. Bonds5

About N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide

N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide (PubChem CID 175521357) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
PubChem CID175521357
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C(=C)c1ccc(C)cc1
InChIInChI=1S/C19H19NO/c1-4-19(21)20(14-17-8-6-5-7-9-17)16(3)18-12-10-15(2)11-13-18/h4-13H,1,3,14H2,2H3
InChIKeySRVSBIYCRQRDHQ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.18
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

N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
N-benzyl-N-[(2-bromo-5-methylphenyl)methyl]prop-2-enamide
CID 168864443
N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
CID 176893369
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide?
The IUPAC name of N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide (CID 175521357) is N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide.
What is the SMILES notation for N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide?
The canonical SMILES for N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide is C=CC(=O)N(Cc1ccccc1)C(=C)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide?
The InChIKey is SRVSBIYCRQRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-4-19(21)20(14-17-8-6-5-7-9-17)16(3)18-12-10-15(2)11-13-18/h4-13H,1,3,14H2,2H3.
What are the key properties of N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide?
N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide has a molecular weight of 277.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide is sourced from PubChem (CID 175521357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).