2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide

C16H24ClN3O — CID 114850140

IUPAC2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
SMILESCCCNCc1ccc(Cl)cc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-18-10-12-4-5-13(17)9-15(12)20(2)11-16(21)19-14-6-7-14/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21)
InChIKeyIAAWUNQJBSDTSN-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.55
Rot. Bonds8

About 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide

2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide (PubChem CID 114850140) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
PubChem CID114850140
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
SMILESCCCNCc1ccc(Cl)cc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-18-10-12-4-5-13(17)9-15(12)20(2)11-16(21)19-14-6-7-14/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21)
InChIKeyIAAWUNQJBSDTSN-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.55
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

2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
2-[4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]-N-cyclopropylacetamide
CID 114850143
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide (CID 114850140) is 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide is CCCNCc1ccc(Cl)cc1N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide?
The InChIKey is IAAWUNQJBSDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-8-18-10-12-4-5-13(17)9-15(12)20(2)11-16(21)19-14-6-7-14/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide?
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide has a molecular weight of 309.84 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 114850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).