N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide

C16H23ClN2O2 — CID 119642531

IUPACN-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCCC(N)(CC)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-16(18,4-2)11-19-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyURGHXMVPZVXGNZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.94
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 119642531) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID119642531
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCCC(N)(CC)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-16(18,4-2)11-19-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyURGHXMVPZVXGNZ-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2-amino-2-ethylbutyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119640425
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 108808125
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119641381
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119641198
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 119642531) is N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide is CCC(N)(CC)CNC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is URGHXMVPZVXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-16(18,4-2)11-19-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 310.82 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119642531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).