N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

C21H30N4O3 — CID 86924989

IUPACN-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C21H30N4O3/c1-3-24(4-2)21(28)15-7-5-8-17(13-15)22-19(26)14-25-12-6-9-18(25)20(27)23-16-10-11-16/h5,7-8,13,16,18H,3-4,6,9-12,14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyBTXCWOREQBPGRS-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.85
Rot. Bonds8

About N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 86924989) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID86924989
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C21H30N4O3/c1-3-24(4-2)21(28)15-7-5-8-17(13-15)22-19(26)14-25-12-6-9-18(25)20(27)23-16-10-11-16/h5,7-8,13,16,18H,3-4,6,9-12,14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyBTXCWOREQBPGRS-UHFFFAOYSA-N
XLogP1.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
N,N-diethyl-3-[[2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 146125332
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 26666862
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N,N-diethyl-3-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzamide
CID 51227430
N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9000797
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 52518463
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 126769632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 86924989) is N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCC2C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is BTXCWOREQBPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-3-24(4-2)21(28)15-7-5-8-17(13-15)22-19(26)14-25-12-6-9-18(25)20(27)23-16-10-11-16/h5,7-8,13,16,18H,3-4,6,9-12,14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86924989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).