N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

C18H28N4O2 — CID 119827871

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C18H28N4O2/c1-3-22(4-2)13-12-20-17(23)14-7-9-15(10-8-14)21-18(24)16-6-5-11-19-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDBBGYYJEECYRIH-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.45
Rot. Bonds8

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119827871) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID119827871
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C18H28N4O2/c1-3-22(4-2)13-12-20-17(23)14-7-9-15(10-8-14)21-18(24)16-6-5-11-19-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDBBGYYJEECYRIH-UHFFFAOYSA-N
XLogP1.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide (CID 119827871) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DBBGYYJEECYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-22(4-2)13-12-20-17(23)14-7-9-15(10-8-14)21-18(24)16-6-5-11-19-16/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119827871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).