N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C27H36N2O — CID 24754039

IUPACN,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2)C(C)C
InChIInChI=1S/C27H36N2O/c1-19(2)29(20(3)4)27(30)26-10-6-5-9-25(26)23-12-11-22-18-24(14-13-21(22)17-23)28-15-7-8-16-28/h5-6,9-12,17,19-20,24H,7-8,13-16,18H2,1-4H3
InChIKeyIEDYADKLFOMTOV-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.57
Rot. Bonds5

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

N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 24754039) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID24754039
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2)C(C)C
InChIInChI=1S/C27H36N2O/c1-19(2)29(20(3)4)27(30)26-10-6-5-9-25(26)23-12-11-22-18-24(14-13-21(22)17-23)28-15-7-8-16-28/h5-6,9-12,17,19-20,24H,7-8,13-16,18H2,1-4H3
InChIKeyIEDYADKLFOMTOV-UHFFFAOYSA-N
XLogP5.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 24754039) is N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is IEDYADKLFOMTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-19(2)29(20(3)4)27(30)26-10-6-5-9-25(26)23-12-11-22-18-24(14-13-21(22)17-23)28-15-7-8-16-28/h5-6,9-12,17,19-20,24H,7-8,13-16,18H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 404.60 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 24754039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).