4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide

C13H20ClN3O — CID 81076197

IUPAC4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-9(8-15)6-13(18)16-10-4-5-12(17(2)3)11(14)7-10/h4-5,7,9H,6,8,15H2,1-3H3,(H,16,18)
InChIKeyDJCCWBKWDSBJDF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.33
Rot. Bonds5

About 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide

4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide (PubChem CID 81076197) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
PubChem CID81076197
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-9(8-15)6-13(18)16-10-4-5-12(17(2)3)11(14)7-10/h4-5,7,9H,6,8,15H2,1-3H3,(H,16,18)
InChIKeyDJCCWBKWDSBJDF-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide (CID 81076197) is 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide is CC(CN)CC(=O)Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide?
The InChIKey is DJCCWBKWDSBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(8-15)6-13(18)16-10-4-5-12(17(2)3)11(14)7-10/h4-5,7,9H,6,8,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide?
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide is sourced from PubChem (CID 81076197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).