N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide

C17H24N2O — CID 166898510

IUPACN-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide
SMILESCc1cccc(NC(=O)C(C)C(C2CC2)C2CC2)c1N
InChIInChI=1S/C17H24N2O/c1-10-4-3-5-14(16(10)18)19-17(20)11(2)15(12-6-7-12)13-8-9-13/h3-5,11-13,15H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyXJFNJUBLOVDYPY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.59
Rot. Bonds5

About N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide

N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide (PubChem CID 166898510) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide
PubChem CID166898510
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide
SMILESCc1cccc(NC(=O)C(C)C(C2CC2)C2CC2)c1N
InChIInChI=1S/C17H24N2O/c1-10-4-3-5-14(16(10)18)19-17(20)11(2)15(12-6-7-12)13-8-9-13/h3-5,11-13,15H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyXJFNJUBLOVDYPY-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide
CID 166898385
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide (CID 166898510) is N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide is Cc1cccc(NC(=O)C(C)C(C2CC2)C2CC2)c1N.
What is the InChIKey of N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide?
The InChIKey is XJFNJUBLOVDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-10-4-3-5-14(16(10)18)19-17(20)11(2)15(12-6-7-12)13-8-9-13/h3-5,11-13,15H,6-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide?
N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylphenyl)-3,3-dicyclopropyl-2-methylpropanamide is sourced from PubChem (CID 166898510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).