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

C19H30N2O2 — CID 113115788

IUPAC3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C19H30N2O2/c1-5-6-13-20(17(4)22)14-12-19(23)21(16(2)3)15-18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyTXMDQWWIWPSKLO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds9

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

3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide (PubChem CID 113115788) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
PubChem CID113115788
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C19H30N2O2/c1-5-6-13-20(17(4)22)14-12-19(23)21(16(2)3)15-18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyTXMDQWWIWPSKLO-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113121500
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
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
N-benzyl-N-butylpropanamide
CID 12502571
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-butan-2-ylbutanamide
CID 60717440

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide (CID 113115788) is 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide is CCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
The InChIKey is TXMDQWWIWPSKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-6-13-20(17(4)22)14-12-19(23)21(16(2)3)15-18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3.
What are the key properties of 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide?
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 113115788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).