N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide

C18H24N2O2 — CID 110625860

IUPACN-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C18H24N2O2/c1-13(15-9-10-15)18(22)20-11-5-8-16(20)17(21)19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,21)
InChIKeyMWBIJOYBMXPCBR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.34
Rot. Bonds5

About N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide

N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 110625860) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID110625860
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C18H24N2O2/c1-13(15-9-10-15)18(22)20-11-5-8-16(20)17(21)19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,21)
InChIKeyMWBIJOYBMXPCBR-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2S)-N-benzyl-1-[(2S)-2-(cyclopropanecarbonylamino)-4-methylpentanoyl]pyrrolidine-2-carboxamide
CID 53361810
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
ethyl N-[(2S)-1-[(2S)-2-(benzylcarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53361915
(2S)-N-benzyl-1-[(2S)-3-methyl-2-[[(2S)-2-(propylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 58609618
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-N-benzyl-1-[(2S,9S)-10-[(2S)-2-(benzylcarbamoyl)pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-9-[[(2R)-2-(methylamino)propanoyl]amino]-10-oxodecanoyl]pyrrolidine-2-carboxamide
CID 70839024
(2S)-1-(2-cyclopentylpropanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358234
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279
(2S)-N-benzyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide (CID 110625860) is N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide is CC(C(=O)N1CCCC1C(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is MWBIJOYBMXPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(15-9-10-15)18(22)20-11-5-8-16(20)17(21)19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide?
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110625860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).