N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C17H24N2O — CID 131930368

IUPACN-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2C=CCN2)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)15-9-7-14(8-10-15)5-3-12-19-17(20)16-6-4-11-18-16/h4,6-10,13,16,18H,3,5,11-12H2,1-2H3,(H,19,20)
InChIKeyRLHGPKCTIPVDCB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 131930368) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID131930368
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2C=CCN2)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)15-9-7-14(8-10-15)5-3-12-19-17(20)16-6-4-11-18-16/h4,6-10,13,16,18H,3,5,11-12H2,1-2H3,(H,19,20)
InChIKeyRLHGPKCTIPVDCB-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125435841
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439858
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439859
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910288

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 131930368) is N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is CC(C)c1ccc(CCCNC(=O)C2C=CCN2)cc1.
What is the InChIKey of N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is RLHGPKCTIPVDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)15-9-7-14(8-10-15)5-3-12-19-17(20)16-6-4-11-18-16/h4,6-10,13,16,18H,3,5,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 131930368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).