2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C18H19N3O — CID 129431732

IUPAC2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESC/C(C=NNC(=O)CNc1ccccc1)=C/c1ccccc1
InChIInChI=1S/C18H19N3O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(22)14-19-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22)/b15-12-,20-13?
InChIKeyLPGJTINXFSCYDS-VMMFGDDSSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds6

About 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 129431732) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID129431732
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESC/C(C=NNC(=O)CNc1ccccc1)=C/c1ccccc1
InChIInChI=1S/C18H19N3O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(22)14-19-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22)/b15-12-,20-13?
InChIKeyLPGJTINXFSCYDS-VMMFGDDSSA-N
XLogP3.30
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
CID 4545872
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 2788406
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 129431732) is 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is C/C(C=NNC(=O)CNc1ccccc1)=C/c1ccccc1.
What is the InChIKey of 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is LPGJTINXFSCYDS-VMMFGDDSSA-N. The full InChI is InChI=1S/C18H19N3O/c1-15(12-16-8-4-2-5-9-16)13-20-21-18(22)14-19-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22)/b15-12-,20-13?.
What are the key properties of 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 129431732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).