6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide

C14H19NO3 — CID 22578230

IUPAC6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCNC(=O)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C14H19NO3/c1-3-6-15-14(16)11-7-10-8-12(17-2)4-5-13(10)18-9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeySOFJYFNDNKAUDX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.77
Rot. Bonds4

About 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578230) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578230
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCNC(=O)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C14H19NO3/c1-3-6-15-14(16)11-7-10-8-12(17-2)4-5-13(10)18-9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeySOFJYFNDNKAUDX-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713318
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 112827468
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
(3S)-N-[3-(1-adamantyloxy)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713321

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578230) is 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide is CCCNC(=O)C1COc2ccc(OC)cc2C1.
What is the InChIKey of 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SOFJYFNDNKAUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-6-15-14(16)11-7-10-8-12(17-2)4-5-13(10)18-9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).