1-(4-ethylphenyl)pyrrolidine-3-carboxamide

C13H18N2O — CID 117008157

IUPAC1-(4-ethylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-3-5-12(6-4-10)15-8-7-11(9-15)13(14)16/h3-6,11H,2,7-9H2,1H3,(H2,14,16)
InChIKeyUZZFUXIOLCUGPA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds3

About 1-(4-ethylphenyl)pyrrolidine-3-carboxamide

1-(4-ethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 117008157) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)pyrrolidine-3-carboxamide
PubChem CID117008157
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-ethylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-3-5-12(6-4-10)15-8-7-11(9-15)13(14)16/h3-6,11H,2,7-9H2,1H3,(H2,14,16)
InChIKeyUZZFUXIOLCUGPA-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
2-[[1-(4-ethylphenyl)pyrrolidin-3-yl]-methylamino]acetic acid
CID 117004246
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
CID 118058043
1-[(3R)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 795385
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)pyrrolidine-3-carboxamide (CID 117008157) is 1-(4-ethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)pyrrolidine-3-carboxamide is CCc1ccc(N2CCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UZZFUXIOLCUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-3-5-12(6-4-10)15-8-7-11(9-15)13(14)16/h3-6,11H,2,7-9H2,1H3,(H2,14,16).
What are the key properties of 1-(4-ethylphenyl)pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).