7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

C12H15NO3 — CID 49193904

IUPAC7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C12H15NO3/c1-13-12(14)9-5-8-3-4-10(15-2)6-11(8)16-7-9/h3-4,6,9H,5,7H2,1-2H3,(H,13,14)
InChIKeyZFMUYWKCDOADNM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.99
Rot. Bonds2

About 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 49193904) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID49193904
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C12H15NO3/c1-13-12(14)9-5-8-3-4-10(15-2)6-11(8)16-7-9/h3-4,6,9H,5,7H2,1-2H3,(H,13,14)
InChIKeyZFMUYWKCDOADNM-UHFFFAOYSA-N
XLogP0.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97121806
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 49193904) is 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CNC(=O)C1COc2cc(OC)ccc2C1.
What is the InChIKey of 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZFMUYWKCDOADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-12(14)9-5-8-3-4-10(15-2)6-11(8)16-7-9/h3-4,6,9H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 49193904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).