2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

C21H25N3O — CID 4521750

IUPAC2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(C=NNC(=O)CNc1ccccc1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)19-11-9-18(10-12-19)13-17(3)14-23-24-21(25)15-22-20-7-5-4-6-8-20/h4-14,16,22H,15H2,1-3H3,(H,24,25)
InChIKeyKIUOLFVYEJOGIB-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.43
Rot. Bonds7

About 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (PubChem CID 4521750) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
PubChem CID4521750
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(C=NNC(=O)CNc1ccccc1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)19-11-9-18(10-12-19)13-17(3)14-23-24-21(25)15-22-20-7-5-4-6-8-20/h4-14,16,22H,15H2,1-3H3,(H,24,25)
InChIKeyKIUOLFVYEJOGIB-UHFFFAOYSA-N
XLogP4.43
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.43
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

N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
CID 4545872
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
2-(4-iodo-3-methylanilino)-N-[(Z)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 25286171
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide
CID 4588805
2-(2,6-dibromo-4-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4028495
N-(4-methylphenyl)-N'-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]butanediamide
CID 3254703
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
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (CID 4521750) is 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is CC(C=NNC(=O)CNc1ccccc1)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is KIUOLFVYEJOGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)19-11-9-18(10-12-19)13-17(3)14-23-24-21(25)15-22-20-7-5-4-6-8-20/h4-14,16,22H,15H2,1-3H3,(H,24,25).
What are the key properties of 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 335.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 4521750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).