N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride

C20H26ClN3O2 — CID 119780709

IUPACN-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-13-5-10-16(22-19(25)20(2,3)4)12-17(13)23-18(24)11-14-6-8-15(21)9-7-14;/h5-10,12H,11,21H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyZWYTUHFPCXZLGG-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.16
Rot. Bonds4

About N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride

N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119780709) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119780709
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-13-5-10-16(22-19(25)20(2,3)4)12-17(13)23-18(24)11-14-6-8-15(21)9-7-14;/h5-10,12H,11,21H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyZWYTUHFPCXZLGG-UHFFFAOYSA-N
XLogP4.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
4-[[5-(2,2-dimethylpropanoylamino)-2-methylanilino]methyl]benzoic acid
CID 122029834
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 110006658
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride (CID 119780709) is N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride is Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is ZWYTUHFPCXZLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-13-5-10-16(22-19(25)20(2,3)4)12-17(13)23-18(24)11-14-6-8-15(21)9-7-14;/h5-10,12H,11,21H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride?
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119780709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).