N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide

C23H26N2O2 — CID 44578255

IUPACN-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-15-5-8-19(23(27)25-20-3-2-4-20)13-21(15)17-9-11-18(12-10-17)22(26)24-14-16-6-7-16/h5,8-13,16,20H,2-4,6-7,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyRPNGVORGBYYVHT-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.08
Rot. Bonds6

About N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide

N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 44578255) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID44578255
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-15-5-8-19(23(27)25-20-3-2-4-20)13-21(15)17-9-11-18(12-10-17)22(26)24-14-16-6-7-16/h5,8-13,16,20H,2-4,6-7,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyRPNGVORGBYYVHT-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide (CID 44578255) is N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is RPNGVORGBYYVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-5-8-19(23(27)25-20-3-2-4-20)13-21(15)17-9-11-18(12-10-17)22(26)24-14-16-6-7-16/h5,8-13,16,20H,2-4,6-7,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 44578255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).