N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide

C15H25ClN4O — CID 63694949

IUPACN-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H25ClN4O/c1-19(2)8-4-9-20(3)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10,17H2,1-3H3,(H,18,21)
InChIKeyBIIFABOAQJGPQS-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.13
Rot. Bonds8

About N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide

N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide (PubChem CID 63694949) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
PubChem CID63694949
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC NameN-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H25ClN4O/c1-19(2)8-4-9-20(3)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10,17H2,1-3H3,(H,18,21)
InChIKeyBIIFABOAQJGPQS-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-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985375
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide (CID 63694949) is N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide is CN(C)CCCN(C)CCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The InChIKey is BIIFABOAQJGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-19(2)8-4-9-20(3)10-7-15(21)18-12-5-6-13(16)14(17)11-12/h5-6,11H,4,7-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide 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-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide is sourced from PubChem (CID 63694949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).