N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C20H23NO3 — CID 9011514

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C20H23NO3/c1-23-18-9-6-14(12-19(18)24-2)10-11-21-20(22)17-8-7-15-4-3-5-16(15)13-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyHRWDQRHGRGKABW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9011514) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9011514
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C20H23NO3/c1-23-18-9-6-14(12-19(18)24-2)10-11-21-20(22)17-8-7-15-4-3-5-16(15)13-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyHRWDQRHGRGKABW-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
CID 32735771
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 72605566
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 15906537
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 6620100
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 9011514) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is COc1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HRWDQRHGRGKABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-9-6-14(12-19(18)24-2)10-11-21-20(22)17-8-7-15-4-3-5-16(15)13-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9011514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).