N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide

C13H20ClN3O — CID 28583672

IUPACN-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCN(C)CCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-17(2)8-4-7-15-10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyXAJJMZGPKWRTSI-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.82
Rot. Bonds7

About N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide

N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide (PubChem CID 28583672) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
PubChem CID28583672
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCN(C)CCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-17(2)8-4-7-15-10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyXAJJMZGPKWRTSI-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
CID 116643821
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide (CID 28583672) is N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide is CN(C)CCCNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The InChIKey is XAJJMZGPKWRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17(2)8-4-7-15-10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide is sourced from PubChem (CID 28583672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).