N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide

C18H28N2O — CID 63141440

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(C(NC(=O)C2(C)CCNC2)C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-14-6-8-15(9-7-14)16(13(2)3)20-17(21)18(4)10-11-19-12-18/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,20,21)
InChIKeyDKAGARSLMDMXMC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63141440) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63141440
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(C(NC(=O)C2(C)CCNC2)C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-14-6-8-15(9-7-14)16(13(2)3)20-17(21)18(4)10-11-19-12-18/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,20,21)
InChIKeyDKAGARSLMDMXMC-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
CID 119691647
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 18285220
(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 61273456
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
CID 63122933
N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide (CID 63141440) is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide is CCc1ccc(C(NC(=O)C2(C)CCNC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is DKAGARSLMDMXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-14-6-8-15(9-7-14)16(13(2)3)20-17(21)18(4)10-11-19-12-18/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).