N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide

C15H25N3O — CID 82224973

IUPACN-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-6-11-7-8-12(9-13(11)16)17-15(19)14(10(2)3)18(4)5/h7-10,14H,6,16H2,1-5H3,(H,17,19)
InChIKeyPAMYIGJMTWSQEY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.36
Rot. Bonds5

About N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide

N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide (PubChem CID 82224973) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
PubChem CID82224973
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-6-11-7-8-12(9-13(11)16)17-15(19)14(10(2)3)18(4)5/h7-10,14H,6,16H2,1-5H3,(H,17,19)
InChIKeyPAMYIGJMTWSQEY-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.36
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-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
CID 82224974
N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224835
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
CID 119438218
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide (CID 82224973) is N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide is CCc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is PAMYIGJMTWSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-11-7-8-12(9-13(11)16)17-15(19)14(10(2)3)18(4)5/h7-10,14H,6,16H2,1-5H3,(H,17,19).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide?
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 82224973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).