2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide

C19H30N2O2 — CID 52845726

IUPAC2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1cccc(NC(=O)C(CC)CC)c1
InChIInChI=1S/C19H30N2O2/c1-5-15(6-2)18(22)20-13-14-10-9-11-17(12-14)21-19(23)16(7-3)8-4/h9-12,15-16H,5-8,13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXUWOLVIXPOSTEK-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.11
Rot. Bonds9

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

2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide (PubChem CID 52845726) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
PubChem CID52845726
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1cccc(NC(=O)C(CC)CC)c1
InChIInChI=1S/C19H30N2O2/c1-5-15(6-2)18(22)20-13-14-10-9-11-17(12-14)21-19(23)16(7-3)8-4/h9-12,15-16H,5-8,13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXUWOLVIXPOSTEK-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
2-methyl-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 111125482
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide (CID 52845726) is 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide is CCC(CC)C(=O)NCc1cccc(NC(=O)C(CC)CC)c1.
What is the InChIKey of 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide?
The InChIKey is XUWOLVIXPOSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-15(6-2)18(22)20-13-14-10-9-11-17(12-14)21-19(23)16(7-3)8-4/h9-12,15-16H,5-8,13H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide?
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 4.11, 9 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-ethylbutanoylamino)phenyl]methyl]butanamide is sourced from PubChem (CID 52845726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).