2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide

C20H25N3O — CID 6075641

IUPAC2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1cccc(C)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N3O/c1-14(2)17-8-10-18(11-9-17)16(4)22-23-20(24)13-21-19-7-5-6-15(3)12-19/h5-12,14,21H,13H2,1-4H3,(H,23,24)/b22-16-
InChIKeyJYWHNVCTMTULQA-JWGURIENSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds6

About 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide

2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide (PubChem CID 6075641) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
PubChem CID6075641
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1cccc(C)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N3O/c1-14(2)17-8-10-18(11-9-17)16(4)22-23-20(24)13-21-19-7-5-6-15(3)12-19/h5-12,14,21H,13H2,1-4H3,(H,23,24)/b22-16-
InChIKeyJYWHNVCTMTULQA-JWGURIENSA-N
XLogP4.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.07
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-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
CID 21157533
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
CID 4033970
2-(benzenesulfonamido)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 9237631
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6162109
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide (CID 6075641) is 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CNc1cccc(C)c1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The InChIKey is JYWHNVCTMTULQA-JWGURIENSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(2)17-8-10-18(11-9-17)16(4)22-23-20(24)13-21-19-7-5-6-15(3)12-19/h5-12,14,21H,13H2,1-4H3,(H,23,24)/b22-16-.
What are the key properties of 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6075641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).