2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide

C18H28N2O2 — CID 112790013

IUPAC2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(CC)CC
InChIInChI=1S/C18H28N2O2/c1-5-12-20(18(22)15(6-2)7-3)13-17(21)19-16-11-9-8-10-14(16)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyBARZHXNORZFBNU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.61
Rot. Bonds8

About 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide

2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 112790013) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
PubChem CID112790013
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(CC)CC
InChIInChI=1S/C18H28N2O2/c1-5-12-20(18(22)15(6-2)7-3)13-17(21)19-16-11-9-8-10-14(16)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyBARZHXNORZFBNU-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2-methylanilino)-2-oxoethyl]-2-[1-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112801015
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide (CID 112790013) is 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is BARZHXNORZFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-12-20(18(22)15(6-2)7-3)13-17(21)19-16-11-9-8-10-14(16)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21).
What are the key properties of 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 112790013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).