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

C22H27N3O — CID 3473753

IUPAC2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(C=NNC(=O)CNc1cccc(C)c1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-16(2)20-10-8-19(9-11-20)12-18(4)14-24-25-22(26)15-23-21-7-5-6-17(3)13-21/h5-14,16,23H,15H2,1-4H3,(H,25,26)
InChIKeyYARHZMFWFRBLQL-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.74
Rot. Bonds7

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

2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (PubChem CID 3473753) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
PubChem CID3473753
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(C=NNC(=O)CNc1cccc(C)c1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-16(2)20-10-8-19(9-11-20)12-18(4)14-24-25-22(26)15-23-21-7-5-6-17(3)13-21/h5-14,16,23H,15H2,1-4H3,(H,25,26)
InChIKeyYARHZMFWFRBLQL-UHFFFAOYSA-N
XLogP4.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.74
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-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
CID 4545872
2-(4-iodo-3-methylanilino)-N-[(Z)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 25286171
2-(2,6-dibromo-4-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4028495
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide
CID 4588805
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 6075641
N-(4-methylphenyl)-N'-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]butanediamide
CID 3254703
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (CID 3473753) is 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is CC(C=NNC(=O)CNc1cccc(C)c1)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is YARHZMFWFRBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(2)20-10-8-19(9-11-20)12-18(4)14-24-25-22(26)15-23-21-7-5-6-17(3)13-21/h5-14,16,23H,15H2,1-4H3,(H,25,26).
What are the key properties of 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 349.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 3473753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).