4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide

C14H22N2O2 — CID 103459930

IUPAC4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-5-14(2,3)9-16-13(17)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyROPRXMNNZMOLSW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds5

About 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide

4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide (PubChem CID 103459930) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
PubChem CID103459930
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-5-14(2,3)9-16-13(17)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyROPRXMNNZMOLSW-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
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

4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide (CID 103459930) is 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide is CCC(C)(C)CNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide?
The InChIKey is ROPRXMNNZMOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-14(2,3)9-16-13(17)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide?
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide is sourced from PubChem (CID 103459930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).