N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide

C14H22N2O2 — CID 114105109

IUPACN-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C14H22N2O2/c1-6-14(4,18-5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17)
InChIKeyZULODHYZJXYHPD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.64
Rot. Bonds4

About N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide

N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide (PubChem CID 114105109) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
PubChem CID114105109
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C14H22N2O2/c1-6-14(4,18-5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17)
InChIKeyZULODHYZJXYHPD-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.64
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-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
CID 114105016
N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 103144554
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
CID 114105808
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylbutanamide
CID 100774062
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
2-methoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylbutanamide
CID 133205549
1-(4-amino-2,5-dimethylphenyl)-3-propan-2-ylurea
CID 103144772
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide (CID 114105109) is N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1cc(C)c(N)cc1C.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide?
The InChIKey is ZULODHYZJXYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-14(4,18-5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide?
N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114105109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).