N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide

C14H22N2O2 — CID 119419413

IUPACN-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
SMILESCOc1ccc(NC(=O)C(C)C(C)(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(14(2,3)4)13(17)16-10-6-7-12(18-5)11(15)8-10/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyDDRIVSZNBBLFPN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.90
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide

N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide (PubChem CID 119419413) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
PubChem CID119419413
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
SMILESCOc1ccc(NC(=O)C(C)C(C)(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(14(2,3)4)13(17)16-10-6-7-12(18-5)11(15)8-10/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyDDRIVSZNBBLFPN-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119419084
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride
CID 119419489
N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119419024
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide (CID 119419413) is N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide is COc1ccc(NC(=O)C(C)C(C)(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide?
The InChIKey is DDRIVSZNBBLFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(14(2,3)4)13(17)16-10-6-7-12(18-5)11(15)8-10/h6-9H,15H2,1-5H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide?
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 119419413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).