4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide

C18H20N2O — CID 70312424

IUPAC4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide
SMILESC=CCNCc1ccc(-c2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C18H20N2O/c1-3-10-20-12-14-5-8-15(9-6-14)17-11-16(18(19)21)7-4-13(17)2/h3-9,11,20H,1,10,12H2,2H3,(H2,19,21)
InChIKeyLAEWEVLTVNTUGD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds6

About 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide

4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide (PubChem CID 70312424) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide
PubChem CID70312424
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide
SMILESC=CCNCc1ccc(-c2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C18H20N2O/c1-3-10-20-12-14-5-8-15(9-6-14)17-11-16(18(19)21)7-4-13(17)2/h3-9,11,20H,1,10,12H2,2H3,(H2,19,21)
InChIKeyLAEWEVLTVNTUGD-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
3-(4-formylphenyl)-4-methylbenzamide
CID 58276727
3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide
CID 59316454
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
4-[(2-prop-2-enoxyethylamino)methyl]benzamide
CID 113362799
ethenyl 3-[4-(butylaminomethyl)phenyl]-N,4-dimethylbenzenecarboximidate
CID 143518292
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
prop-2-enamide;4-[(prop-2-enylamino)methyl]benzene-1,2-diol
CID 175227935
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
4-methyl-3-thiophen-3-ylbenzamide
CID 142672205
4-methyl-3-N-[2-(4-phenylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166367703
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide (CID 70312424) is 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide is C=CCNCc1ccc(-c2cc(C(N)=O)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide?
The InChIKey is LAEWEVLTVNTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-10-20-12-14-5-8-15(9-6-14)17-11-16(18(19)21)7-4-13(17)2/h3-9,11,20H,1,10,12H2,2H3,(H2,19,21).
What are the key properties of 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide?
4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 70312424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).