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

C14H23N3O — CID 82224835

IUPACN-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-9(2)13(17(4)5)14(18)16-11-7-6-10(3)12(15)8-11/h6-9,13H,15H2,1-5H3,(H,16,18)
InChIKeyJSZHGYSFBVKJAE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.10
Rot. Bonds4

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

N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide (PubChem CID 82224835) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
PubChem CID82224835
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-9(2)13(17(4)5)14(18)16-11-7-6-10(3)12(15)8-11/h6-9,13H,15H2,1-5H3,(H,16,18)
InChIKeyJSZHGYSFBVKJAE-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.10
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-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
CID 82224974
N-(3-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099062
N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
CID 82224855
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide (CID 82224835) is N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide is Cc1ccc(NC(=O)C(C(C)C)N(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is JSZHGYSFBVKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)13(17(4)5)14(18)16-11-7-6-10(3)12(15)8-11/h6-9,13H,15H2,1-5H3,(H,16,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide?
N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 82224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).