3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide

C18H28N2O2 — CID 113114991

IUPAC3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-12-19(16(4)21)13-11-18(22)20(15(2)3)14-17-9-7-6-8-10-17/h6-10,15H,5,11-14H2,1-4H3
InChIKeyVEOYIPIQYGVFLS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.07
Rot. Bonds8

About 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide

3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide (PubChem CID 113114991) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
PubChem CID113114991
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-12-19(16(4)21)13-11-18(22)20(15(2)3)14-17-9-7-6-8-10-17/h6-10,15H,5,11-14H2,1-4H3
InChIKeyVEOYIPIQYGVFLS-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113121500
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
CID 4559208
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136884

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide (CID 113114991) is 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide is CCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The InChIKey is VEOYIPIQYGVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-12-19(16(4)21)13-11-18(22)20(15(2)3)14-17-9-7-6-8-10-17/h6-10,15H,5,11-14H2,1-4H3.
What are the key properties of 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 113114991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).