N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C18H19NO3 — CID 112520928

IUPACN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19NO3/c1-21-15-7-8-17(22-2)16(11-15)19-18(20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H,19,20)
InChIKeyDOIAOTXAAAUHFF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.06
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112520928) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112520928
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19NO3/c1-21-15-7-8-17(22-2)16(11-15)19-18(20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H,19,20)
InChIKeyDOIAOTXAAAUHFF-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
(3R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075354
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112520928) is N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is COc1ccc(OC)c(NC(=O)C2Cc3ccccc3C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is DOIAOTXAAAUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-15-7-8-17(22-2)16(11-15)19-18(20)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112520928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).