N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide

C12H15N3O — CID 143987232

IUPACN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide
SMILESCC(=O)/N=C(N)/C=C\Nc1ccc(C)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)14-8-7-12(13)15-10(2)16/h3-8,14H,1-2H3,(H2,13,15,16)/b8-7-
InChIKeyBIGFBWVRDDMTCH-FPLPWBNLSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds3

About N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide

N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide (PubChem CID 143987232) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide
PubChem CID143987232
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide
SMILESCC(=O)/N=C(N)/C=C\Nc1ccc(C)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)14-8-7-12(13)15-10(2)16/h3-8,14H,1-2H3,(H2,13,15,16)/b8-7-
InChIKeyBIGFBWVRDDMTCH-FPLPWBNLSA-N
XLogP1.82
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide
CID 142372374
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-1-(4-tert-butylphenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 139030212
(E)-3-(4-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210959
N-[(Z)-1-amino-3-(pyridin-4-ylamino)prop-2-enylidene]-2,2-difluorocyclopropane-1-carboxamide
CID 142372088
(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
CID 177371968
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
N-(4-methylphenyl)acetamide
CID 7684
N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
CID 142372327

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide?
The IUPAC name of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide (CID 143987232) is N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide?
The canonical SMILES for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide is CC(=O)/N=C(N)/C=C\Nc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide?
The InChIKey is BIGFBWVRDDMTCH-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)14-8-7-12(13)15-10(2)16/h3-8,14H,1-2H3,(H2,13,15,16)/b8-7-.
What are the key properties of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide?
N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide is sourced from PubChem (CID 143987232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).