N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

C15H25ClN4O — CID 63693562

IUPACN-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCN(C)CCN(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H25ClN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-14-7-6-12(16)11-13(14)17/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21)
InChIKeyMHILTAUOIDEDEP-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.13
Rot. Bonds8

About N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (PubChem CID 63693562) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
PubChem CID63693562
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCN(C)CCN(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H25ClN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-14-7-6-12(16)11-13(14)17/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21)
InChIKeyMHILTAUOIDEDEP-UHFFFAOYSA-N
XLogP2.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (CID 63693562) is N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is CN(C)CCN(C)CCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The InChIKey is MHILTAUOIDEDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-14-7-6-12(16)11-13(14)17/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide has a molecular weight of 312.85 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is sourced from PubChem (CID 63693562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).