2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide

C13H20ClN3O — CID 81492824

IUPAC2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)CCCN
InChIInChI=1S/C13H20ClN3O/c1-10-8-11(14)4-5-12(10)16-13(18)9-17(2)7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyJBZNJFQSVVPXSB-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.87
Rot. Bonds6

About 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide

2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 81492824) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID81492824
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)CCCN
InChIInChI=1S/C13H20ClN3O/c1-10-8-11(14)4-5-12(10)16-13(18)9-17(2)7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyJBZNJFQSVVPXSB-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204090
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014016
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107440209
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012302
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide (CID 81492824) is 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(C)CCCN.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is JBZNJFQSVVPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-8-11(14)4-5-12(10)16-13(18)9-17(2)7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 81492824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).