2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide

C17H19NO3 — CID 139911038

IUPAC2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide
SMILESCNC(=O)CC1COc2ccc3ccc(OC)cc3c2C1
InChIInChI=1S/C17H19NO3/c1-18-17(19)8-11-7-15-14-9-13(20-2)5-3-12(14)4-6-16(15)21-10-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOGQYIIMRZDSQNR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.54
Rot. Bonds3

About 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide

2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide (PubChem CID 139911038) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide
PubChem CID139911038
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide
SMILESCNC(=O)CC1COc2ccc3ccc(OC)cc3c2C1
InChIInChI=1S/C17H19NO3/c1-18-17(19)8-11-7-15-14-9-13(20-2)5-3-12(14)4-6-16(15)21-10-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOGQYIIMRZDSQNR-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene
CID 130392024
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
CID 86730705
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397224

Frequently Asked Questions

What is the IUPAC name of 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide?
The IUPAC name of 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide (CID 139911038) is 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide is CNC(=O)CC1COc2ccc3ccc(OC)cc3c2C1.
What is the InChIKey of 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide?
The InChIKey is OGQYIIMRZDSQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18-17(19)8-11-7-15-14-9-13(20-2)5-3-12(14)4-6-16(15)21-10-11/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide?
2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide has a molecular weight of 285.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide is sourced from PubChem (CID 139911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).