N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide

C23H23NO2 — CID 806873

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C23H23NO2/c1-15(2)14-26-19-7-3-6-18(13-19)23(25)24-21-12-11-17-10-9-16-5-4-8-20(21)22(16)17/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,24,25)
InChIKeyUTBVJSSUIBKCJC-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.23
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide

N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 806873) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
PubChem CID806873
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C23H23NO2/c1-15(2)14-26-19-7-3-6-18(13-19)23(25)24-21-12-11-17-10-9-16-5-4-8-20(21)22(16)17/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,24,25)
InChIKeyUTBVJSSUIBKCJC-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide (CID 806873) is N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is UTBVJSSUIBKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-15(2)14-26-19-7-3-6-18(13-19)23(25)24-21-12-11-17-10-9-16-5-4-8-20(21)22(16)17/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,24,25).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 345.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 806873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).