4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide

C16H17NO2 — CID 18466214

IUPAC4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
SMILESCNC(=O)C1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C16H17NO2/c1-17-16(18)12-8-11-5-3-4-10-6-7-14(19-2)13(9-12)15(10)11/h3-7,12H,8-9H2,1-2H3,(H,17,18)
InChIKeyOIPNHVNMFWKBBJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds2

About 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide

4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide (PubChem CID 18466214) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
PubChem CID18466214
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
SMILESCNC(=O)C1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C16H17NO2/c1-17-16(18)12-8-11-5-3-4-10-6-7-14(19-2)13(9-12)15(10)11/h3-7,12H,8-9H2,1-2H3,(H,17,18)
InChIKeyOIPNHVNMFWKBBJ-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101252
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101298
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]cyclopropanecarboxamide
CID 10637638
N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
CID 10562968
4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
CID 135309980
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide
CID 10731701
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide (CID 18466214) is 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide is CNC(=O)C1Cc2cccc3ccc(OC)c(c23)C1.
What is the InChIKey of 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide?
The InChIKey is OIPNHVNMFWKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-16(18)12-8-11-5-3-4-10-6-7-14(19-2)13(9-12)15(10)11/h3-7,12H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide?
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide is sourced from PubChem (CID 18466214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).