N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

C19H24N2O4 — CID 5002857

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C19H24N2O4/c22-18-9-7-15(21(18)14-4-2-1-3-5-14)19(23)20-11-13-6-8-16-17(10-13)25-12-24-16/h6,8,10,14-15H,1-5,7,9,11-12H2,(H,20,23)
InChIKeyBRLKSZKYEADNBU-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.36
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 5002857) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
PubChem CID5002857
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C19H24N2O4/c22-18-9-7-15(21(18)14-4-2-1-3-5-14)19(23)20-11-13-6-8-16-17(10-13)25-12-24-16/h6,8,10,14-15H,1-5,7,9,11-12H2,(H,20,23)
InChIKeyBRLKSZKYEADNBU-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Atrasentan
CID 159594
1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
CID 198798
Cur-61414
CID 10392802
2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5dimethoxycyclohexyl)acetamide (Inh 8)
CID 53246794
4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 9914310
4-Benzo[1,3]dioxol-5-yl-1-(1-dibutylcarbamoyl-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 44265870
2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-acetamide
CID 862174
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)propanamide
CID 1529576
(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 5310990
7-Benzo[1,3]dioxol-5-ylmethyl-5,9-dihydroxy-pyrrolo[3,4-g]quinoxaline-6,8-dione
CID 6096802
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2853693
N-((1,3-dioxaindan-5-yl)methyl)cyclohexanamine
CID 408361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (CID 5002857) is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BRLKSZKYEADNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18-9-7-15(21(18)14-4-2-1-3-5-14)19(23)20-11-13-6-8-16-17(10-13)25-12-24-16/h6,8,10,14-15H,1-5,7,9,11-12H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5002857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).