N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide

C14H18N2O — CID 3784138

IUPACN-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CC=CC1
InChIInChI=1S/C14H18N2O/c1-11(2)12-7-3-4-8-13(12)15-14(17)16-9-5-6-10-16/h3-8,11H,9-10H2,1-2H3,(H,15,17)
InChIKeyGXMMXZWDEHMMJZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.21
Rot. Bonds2

About N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide

N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 3784138) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID3784138
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CC=CC1
InChIInChI=1S/C14H18N2O/c1-11(2)12-7-3-4-8-13(12)15-14(17)16-9-5-6-10-16/h3-8,11H,9-10H2,1-2H3,(H,15,17)
InChIKeyGXMMXZWDEHMMJZ-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105696
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
CID 108985990
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112335

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 3784138) is N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CC=CC1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is GXMMXZWDEHMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)12-7-3-4-8-13(12)15-14(17)16-9-5-6-10-16/h3-8,11H,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide?
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 3784138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).