N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide

C15H23N3O2 — CID 120569254

IUPACN-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCc1ccc(N)cc1NC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10-5-6-11(16)7-12(10)18-14(20)9-17-13(19)8-15(2,3)4/h5-7H,8-9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXPAUDJMRNPKPSY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 120569254) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID120569254
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCc1ccc(N)cc1NC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10-5-6-11(16)7-12(10)18-14(20)9-17-13(19)8-15(2,3)4/h5-7H,8-9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXPAUDJMRNPKPSY-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.07
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

N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
4-amino-2-(3,3-dimethylbutanoylamino)benzoic acid
CID 63116322
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384794
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
CID 114231835

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 120569254) is N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide is Cc1ccc(N)cc1NC(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is XPAUDJMRNPKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-5-6-11(16)7-12(10)18-14(20)9-17-13(19)8-15(2,3)4/h5-7H,8-9,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 120569254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).