3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide

C19H29N3O2 — CID 95289837

IUPAC3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
SMILESCC(=O)N(CCC(=O)NC[C@H](C)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-16(21-11-6-7-12-21)14-20-19(24)10-13-22(17(2)23)15-18-8-4-3-5-9-18/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyZGAGXWWGXCGNTQ-INIZCTEOSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds8

About 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide

3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide (PubChem CID 95289837) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
PubChem CID95289837
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
SMILESCC(=O)N(CCC(=O)NC[C@H](C)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-16(21-11-6-7-12-21)14-20-19(24)10-13-22(17(2)23)15-18-8-4-3-5-9-18/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyZGAGXWWGXCGNTQ-INIZCTEOSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 96523023
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 99845883
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 96523044
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 78892497
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide (CID 95289837) is 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide is CC(=O)N(CCC(=O)NC[C@H](C)N1CCCC1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide?
The InChIKey is ZGAGXWWGXCGNTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16(21-11-6-7-12-21)14-20-19(24)10-13-22(17(2)23)15-18-8-4-3-5-9-18/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide?
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide is sourced from PubChem (CID 95289837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).