4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide

C17H24N2O — CID 123693203

IUPAC4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC=C(C)Cc1ccc(NC(=O)C2CC(C)CN2)cc1
InChIInChI=1S/C17H24N2O/c1-4-12(2)9-14-5-7-15(8-6-14)19-17(20)16-10-13(3)11-18-16/h4-8,13,16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyGDSJGBANVUTBBQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.13
Rot. Bonds4

About 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide

4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 123693203) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID123693203
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC=C(C)Cc1ccc(NC(=O)C2CC(C)CN2)cc1
InChIInChI=1S/C17H24N2O/c1-4-12(2)9-14-5-7-15(8-6-14)19-17(20)16-10-13(3)11-18-16/h4-8,13,16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyGDSJGBANVUTBBQ-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
3-[[(2S,4S)-4-methylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 126757719
N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide
CID 123436068
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
CID 119808841
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide (CID 123693203) is 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide is CC=C(C)Cc1ccc(NC(=O)C2CC(C)CN2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GDSJGBANVUTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-12(2)9-14-5-7-15(8-6-14)19-17(20)16-10-13(3)11-18-16/h4-8,13,16,18H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide?
4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123693203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).