(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

C14H18N2O3 — CID 95159054

IUPAC(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-4-11(9-10)19-8-7-15-14(18)12-5-6-13(17)16-12/h2-4,9,12H,5-8H2,1H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyGJKSFHYKNCEJPI-GFCCVEGCSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds5

About (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95159054) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95159054
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-4-11(9-10)19-8-7-15-14(18)12-5-6-13(17)16-12/h2-4,9,12H,5-8H2,1H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyGJKSFHYKNCEJPI-GFCCVEGCSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 7357024
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809
(4R)-7-fluoro-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41404978
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
N-[2-(3-methylphenoxy)ethyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 18115632
5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 110795309
1-O-methyl 4-O-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethyl] (E)-but-2-enedioate
CID 126495729
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 95159054) is (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cccc(OCCNC(=O)[C@H]2CCC(=O)N2)c1.
What is the InChIKey of (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GJKSFHYKNCEJPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-3-2-4-11(9-10)19-8-7-15-14(18)12-5-6-13(17)16-12/h2-4,9,12H,5-8H2,1H3,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95159054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).