3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide

C18H28N2O2 — CID 113122843

IUPAC3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1)CCC(C)C
InChIInChI=1S/C18H28N2O2/c1-15(2)10-13-20(16(3)21)14-11-18(22)19-12-9-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,19,22)
InChIKeyMGSYDGIQBOOCIF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.63
Rot. Bonds9

About 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide

3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 113122843) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID113122843
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1)CCC(C)C
InChIInChI=1S/C18H28N2O2/c1-15(2)10-13-20(16(3)21)14-11-18(22)19-12-9-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,19,22)
InChIKeyMGSYDGIQBOOCIF-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide (CID 113122843) is 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide is CC(=O)N(CCC(=O)NCCc1ccccc1)CCC(C)C.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is MGSYDGIQBOOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)10-13-20(16(3)21)14-11-18(22)19-12-9-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide?
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113122843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).