2-(5-amino-2-methylanilino)-2-methylpropanamide

C11H17N3O — CID 62591066

IUPAC2-(5-amino-2-methylanilino)-2-methylpropanamide
SMILESCc1ccc(N)cc1NC(C)(C)C(N)=O
InChIInChI=1S/C11H17N3O/c1-7-4-5-8(12)6-9(7)14-11(2,3)10(13)15/h4-6,14H,12H2,1-3H3,(H2,13,15)
InChIKeyHWZVHVPVDOIYPK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds3

About 2-(5-amino-2-methylanilino)-2-methylpropanamide

2-(5-amino-2-methylanilino)-2-methylpropanamide (PubChem CID 62591066) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(5-amino-2-methylanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylanilino)-2-methylpropanamide
PubChem CID62591066
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(5-amino-2-methylanilino)-2-methylpropanamide
SMILESCc1ccc(N)cc1NC(C)(C)C(N)=O
InChIInChI=1S/C11H17N3O/c1-7-4-5-8(12)6-9(7)14-11(2,3)10(13)15/h4-6,14H,12H2,1-3H3,(H2,13,15)
InChIKeyHWZVHVPVDOIYPK-UHFFFAOYSA-N
XLogP1.25
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
3-N-(3-ethylpentan-3-yl)-4-methylbenzene-1,3-diamine
CID 65039934
3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
CID 106275307
methyl 2-(5-amino-2-methylanilino)propanoate
CID 62590331
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 120569254
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
2-[(2-amino-3-pyridinyl)amino]-2-methylpropanamide
CID 104540232
5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
CID 120629582
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
3-(4-amino-2-methylanilino)propanoate
CID 23104650

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylanilino)-2-methylpropanamide?
The IUPAC name of 2-(5-amino-2-methylanilino)-2-methylpropanamide (CID 62591066) is 2-(5-amino-2-methylanilino)-2-methylpropanamide.
What is the SMILES notation for 2-(5-amino-2-methylanilino)-2-methylpropanamide?
The canonical SMILES for 2-(5-amino-2-methylanilino)-2-methylpropanamide is Cc1ccc(N)cc1NC(C)(C)C(N)=O.
What is the InChIKey of 2-(5-amino-2-methylanilino)-2-methylpropanamide?
The InChIKey is HWZVHVPVDOIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-4-5-8(12)6-9(7)14-11(2,3)10(13)15/h4-6,14H,12H2,1-3H3,(H2,13,15).
What are the key properties of 2-(5-amino-2-methylanilino)-2-methylpropanamide?
2-(5-amino-2-methylanilino)-2-methylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylanilino)-2-methylpropanamide is sourced from PubChem (CID 62591066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).