(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

C17H26N2O — CID 61273456

IUPAC(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(NC(=O)[C@@H]2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-4-13-7-9-14(10-8-13)16(12(2)3)19-17(20)15-6-5-11-18-15/h7-10,12,15-16,18H,4-6,11H2,1-3H3,(H,19,20)/t15-,16?/m0/s1
InChIKeyGYJSEZGQKAZMKU-VYRBHSGPSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds5

About (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (PubChem CID 61273456) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
PubChem CID61273456
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(NC(=O)[C@@H]2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-4-13-7-9-14(10-8-13)16(12(2)3)19-17(20)15-6-5-11-18-15/h7-10,12,15-16,18H,4-6,11H2,1-3H3,(H,19,20)/t15-,16?/m0/s1
InChIKeyGYJSEZGQKAZMKU-VYRBHSGPSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 78810784
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
CID 119691647
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (CID 61273456) is (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is CCc1ccc(C(NC(=O)[C@@H]2CCCN2)C(C)C)cc1.
What is the InChIKey of (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The InChIKey is GYJSEZGQKAZMKU-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-7-9-14(10-8-13)16(12(2)3)19-17(20)15-6-5-11-18-15/h7-10,12,15-16,18H,4-6,11H2,1-3H3,(H,19,20)/t15-,16?/m0/s1.
What are the key properties of (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61273456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).