N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide

C24H27NO2 — CID 15986778

IUPACN-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1-c1ccc2c(c1)CCC(C)(C)C2=O
InChIInChI=1S/C24H27NO2/c1-15-4-7-19(23(27)25-14-16-5-6-16)13-21(15)17-8-9-20-18(12-17)10-11-24(2,3)22(20)26/h4,7-9,12-13,16H,5-6,10-11,14H2,1-3H3,(H,25,27)
InChIKeyCHKIPFAYIQKMBQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.96
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide

N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide (PubChem CID 15986778) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide
PubChem CID15986778
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1-c1ccc2c(c1)CCC(C)(C)C2=O
InChIInChI=1S/C24H27NO2/c1-15-4-7-19(23(27)25-14-16-5-6-16)13-21(15)17-8-9-20-18(12-17)10-11-24(2,3)22(20)26/h4,7-9,12-13,16H,5-6,10-11,14H2,1-3H3,(H,25,27)
InChIKeyCHKIPFAYIQKMBQ-UHFFFAOYSA-N
XLogP4.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide (CID 15986778) is N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NCC2CC2)cc1-c1ccc2c(c1)CCC(C)(C)C2=O.
What is the InChIKey of N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide?
The InChIKey is CHKIPFAYIQKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-15-4-7-19(23(27)25-14-16-5-6-16)13-21(15)17-8-9-20-18(12-17)10-11-24(2,3)22(20)26/h4,7-9,12-13,16H,5-6,10-11,14H2,1-3H3,(H,25,27).
What are the key properties of N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide?
N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide is sourced from PubChem (CID 15986778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).