3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide

C24H31N3O2 — CID 113132001

IUPAC3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-18(2)20-6-8-21(9-7-20)25-24(29)14-17-27(19(3)28)23-12-10-22(11-13-23)26-15-4-5-16-26/h6-13,18H,4-5,14-17H2,1-3H3,(H,25,29)
InChIKeyHMWVBHJAHITZNJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.79
Rot. Bonds7

About 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113132001) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113132001
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-18(2)20-6-8-21(9-7-20)25-24(29)14-17-27(19(3)28)23-12-10-22(11-13-23)26-15-4-5-16-26/h6-13,18H,4-5,14-17H2,1-3H3,(H,25,29)
InChIKeyHMWVBHJAHITZNJ-UHFFFAOYSA-N
XLogP4.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.79
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

3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 113132001) is 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HMWVBHJAHITZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)20-6-8-21(9-7-20)25-24(29)14-17-27(19(3)28)23-12-10-22(11-13-23)26-15-4-5-16-26/h6-13,18H,4-5,14-17H2,1-3H3,(H,25,29).
What are the key properties of 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113132001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).