N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C25H30N2O — CID 68930406

IUPACN-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1
InChIInChI=1S/C25H30N2O/c28-25(26-23-4-3-5-23)19-8-6-18(7-9-19)20-10-11-22-17-24(13-12-21(22)16-20)27-14-1-2-15-27/h6-11,16,23-24H,1-5,12-15,17H2,(H,26,28)
InChIKeyPWEJJQQXCVJCIB-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.59
Rot. Bonds4

About N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 68930406) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID68930406
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1
InChIInChI=1S/C25H30N2O/c28-25(26-23-4-3-5-23)19-8-6-18(7-9-19)20-10-11-22-17-24(13-12-21(22)16-20)27-14-1-2-15-27/h6-11,16,23-24H,1-5,12-15,17H2,(H,26,28)
InChIKeyPWEJJQQXCVJCIB-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24754190
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
CID 58199268
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
N-[6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide
CID 11476595
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 24754039
N-cyclobutyl-4-methylbenzamide
CID 23530676
[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 11338026
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 68930406) is N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is O=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1.
What is the InChIKey of N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is PWEJJQQXCVJCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-25(26-23-4-3-5-23)19-8-6-18(7-9-19)20-10-11-22-17-24(13-12-21(22)16-20)27-14-1-2-15-27/h6-11,16,23-24H,1-5,12-15,17H2,(H,26,28).
What are the key properties of N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 374.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 68930406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).