3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H29N3O2 — CID 113116063

IUPAC3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O2/c1-15(2)14-22(16(3)23)13-10-19(24)20-17-6-8-18(9-7-17)21-11-4-5-12-21/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyDQXXZTAOUPGQKW-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.12
Rot. Bonds7

About 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 113116063) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID113116063
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O2/c1-15(2)14-22(16(3)23)13-10-19(24)20-17-6-8-18(9-7-17)21-11-4-5-12-21/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyDQXXZTAOUPGQKW-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113158964
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 113116063) is 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is DQXXZTAOUPGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)14-22(16(3)23)13-10-19(24)20-17-6-8-18(9-7-17)21-11-4-5-12-21/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).