N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide

C13H17N3O2 — CID 119738367

IUPACN-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)C1CCNC1)Nc1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(16-11-4-2-1-3-5-11)9-15-13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,15,18)(H,16,17)
InChIKeyQVMKVAUSZSJEJI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.35
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide

N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide (PubChem CID 119738367) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
PubChem CID119738367
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)C1CCNC1)Nc1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(16-11-4-2-1-3-5-11)9-15-13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,15,18)(H,16,17)
InChIKeyQVMKVAUSZSJEJI-UHFFFAOYSA-N
XLogP0.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 119871359
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
CID 63006441
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide (CID 119738367) is N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide is O=C(CNC(=O)C1CCNC1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide?
The InChIKey is QVMKVAUSZSJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(16-11-4-2-1-3-5-11)9-15-13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide?
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119738367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).