N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

C14H22ClN3O — CID 108995126

IUPACN-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1ccc(NC(=O)CNCCCN(C)C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-11-5-6-12(9-13(11)15)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyGDFRHDZVAXSSCX-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.13
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (PubChem CID 108995126) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
PubChem CID108995126
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1ccc(NC(=O)CNCCCN(C)C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-11-5-6-12(9-13(11)15)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyGDFRHDZVAXSSCX-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.13
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-[3-(dimethylamino)propylamino]acetamide
CID 28583672
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoic acid
CID 103235957
N-(3-chloro-4-methylphenyl)-N'-[3-(dimethylamino)propyl]-3-phenylpentanediamide
CID 142061710
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (CID 108995126) is N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is Cc1ccc(NC(=O)CNCCCN(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The InChIKey is GDFRHDZVAXSSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-11-5-6-12(9-13(11)15)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is sourced from PubChem (CID 108995126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).