2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide

C16H25ClN2O — CID 78790298

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN(C)Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)19(13(3)4)16(20)11-18(5)10-14-7-6-8-15(17)9-14/h6-9,12-13H,10-11H2,1-5H3
InChIKeyXWOWKASGNZARLP-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.42
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide (PubChem CID 78790298) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
PubChem CID78790298
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN(C)Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)19(13(3)4)16(20)11-18(5)10-14-7-6-8-15(17)9-14/h6-9,12-13H,10-11H2,1-5H3
InChIKeyXWOWKASGNZARLP-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
CID 94897707
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide (CID 78790298) is 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN(C)Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The InChIKey is XWOWKASGNZARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)19(13(3)4)16(20)11-18(5)10-14-7-6-8-15(17)9-14/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide has a molecular weight of 296.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 78790298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).