N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide

C15H23N3O2 — CID 63005975

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-18(9-10-19)14-5-3-13(4-6-14)17-15(20)12-7-8-16-11-12/h3-6,12,16,19H,2,7-11H2,1H3,(H,17,20)
InChIKeyDLTRJKVNUHTCNO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.05
Rot. Bonds6

About N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide (PubChem CID 63005975) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
PubChem CID63005975
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-18(9-10-19)14-5-3-13(4-6-14)17-15(20)12-7-8-16-11-12/h3-6,12,16,19H,2,7-11H2,1H3,(H,17,20)
InChIKeyDLTRJKVNUHTCNO-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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

(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide (CID 63005975) is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide is CCN(CCO)c1ccc(NC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is DLTRJKVNUHTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18(9-10-19)14-5-3-13(4-6-14)17-15(20)12-7-8-16-11-12/h3-6,12,16,19H,2,7-11H2,1H3,(H,17,20).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide?
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).