(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide

C14H20N2O3 — CID 124687672

IUPAC(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)[C@H]2CCNC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-2-4-13(9-12)19-8-7-16-14(17)11-5-6-15-10-11/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyQFFVLIQNCQRWEK-NSHDSACASA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds6

About (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide

(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide (PubChem CID 124687672) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
PubChem CID124687672
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)[C@H]2CCNC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-2-4-13(9-12)19-8-7-16-14(17)11-5-6-15-10-11/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyQFFVLIQNCQRWEK-NSHDSACASA-N
XLogP0.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
N-[2-[[ethylamino-[2-(3-methoxyphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927466
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
CID 46399859
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide (CID 124687672) is (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide is COc1cccc(OCCNC(=O)[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QFFVLIQNCQRWEK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-3-2-4-13(9-12)19-8-7-16-14(17)11-5-6-15-10-11/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide?
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124687672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).