N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide

C14H21N3O2 — CID 79203045

IUPACN-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(9-15-2)14(19)17(3)10-13(18)16-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyXLDUEILYFONCNL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.94
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide

N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 79203045) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID79203045
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(9-15-2)14(19)17(3)10-13(18)16-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyXLDUEILYFONCNL-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
CID 55639339
3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
CID 44607224
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide (CID 79203045) is N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is XLDUEILYFONCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(9-15-2)14(19)17(3)10-13(18)16-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide?
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 79203045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).