(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

C15H21N3O2 — CID 103795041

IUPAC(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-16-14(19)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-13/h5-8,13,17H,2-4,9-10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1
InChIKeyFHQKGYPUDVPPJG-CYBMUJFWSA-N
MW275.35 g/mol
LogP1.06
Rot. Bonds5

About (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 103795041) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID103795041
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-16-14(19)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-13/h5-8,13,17H,2-4,9-10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1
InChIKeyFHQKGYPUDVPPJG-CYBMUJFWSA-N
XLogP1.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (CID 103795041) is (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is CCNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FHQKGYPUDVPPJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-14(19)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-13/h5-8,13,17H,2-4,9-10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).