2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide

C15H24ClN3O — CID 79652359

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(C)(C)CN)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11-5-6-12(7-13(11)16)18-14(20)8-19(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3,(H,18,20)
InChIKeyMDLJDBCEVOQAMC-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.50
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 79652359) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID79652359
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(C)(C)CN)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11-5-6-12(7-13(11)16)18-14(20)8-19(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3,(H,18,20)
InChIKeyMDLJDBCEVOQAMC-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 119928898
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
CID 79663881
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 79651883
methyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013625
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
N-(3-chloro-4-methylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433715
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide (CID 79652359) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(C)(C)CN)cc1Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is MDLJDBCEVOQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11-5-6-12(7-13(11)16)18-14(20)8-19(4)10-15(2,3)9-17/h5-7H,8-10,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 79652359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).