2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide

C16H24N2O2 — CID 21430939

IUPAC2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-5-12(6-2)16(20)18-14-9-7-8-13(10-14)17-15(19)11(3)4/h7-12H,5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJOTHJNIVSMDNHY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds6

About 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide

2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 21430939) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID21430939
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-5-12(6-2)16(20)18-14-9-7-8-13(10-14)17-15(19)11(3)4/h7-12H,5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJOTHJNIVSMDNHY-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide (CID 21430939) is 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is JOTHJNIVSMDNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-12(6-2)16(20)18-14-9-7-8-13(10-14)17-15(19)11(3)4/h7-12H,5-6H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 21430939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).