(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide

C15H23N3O2 — CID 61178516

IUPAC(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-18(10-11-19)13-7-5-12(6-8-13)17-15(20)14-4-3-9-16-14/h5-8,14,16,19H,2-4,9-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyAVKURFWFOFHYIY-AWEZNQCLSA-N
MW277.37 g/mol
LogP1.20
Rot. Bonds6

About (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 61178516) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
PubChem CID61178516
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-18(10-11-19)13-7-5-12(6-8-13)17-15(20)14-4-3-9-16-14/h5-8,14,16,19H,2-4,9-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyAVKURFWFOFHYIY-AWEZNQCLSA-N
XLogP1.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 90855570
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide (CID 61178516) is (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide is CCN(CCO)c1ccc(NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AVKURFWFOFHYIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18(10-11-19)13-7-5-12(6-8-13)17-15(20)14-4-3-9-16-14/h5-8,14,16,19H,2-4,9-11H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).