4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide

C15H23N3O2 — CID 119267877

IUPAC4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-11-6-4-7-12(2)15(11)17-13(19)10-18(3)14(20)8-5-9-16/h4,6-7H,5,8-10,16H2,1-3H3,(H,17,19)
InChIKeyVPKLEEUYFJTDKF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide

4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 119267877) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
PubChem CID119267877
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCCN
InChIInChI=1S/C15H23N3O2/c1-11-6-4-7-12(2)15(11)17-13(19)10-18(3)14(20)8-5-9-16/h4,6-7H,5,8-10,16H2,1-3H3,(H,17,19)
InChIKeyVPKLEEUYFJTDKF-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
6-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexanamide
CID 112791840
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
benzyl N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]carbamate
CID 55822545
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 119683115
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide (CID 119267877) is 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is VPKLEEUYFJTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-4-7-12(2)15(11)17-13(19)10-18(3)14(20)8-5-9-16/h4,6-7H,5,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 119267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).