N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide

C18H19NO3 — CID 18115323

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2CCOc3ccccc32)ccc1C
InChIInChI=1S/C18H19NO3/c1-12-7-8-13(11-17(12)21-2)18(20)19-15-9-10-22-16-6-4-3-5-14(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,19,20)
InChIKeyZHAFHTPOXPPHJV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.26
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide (PubChem CID 18115323) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
PubChem CID18115323
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC2CCOc3ccccc32)ccc1C
InChIInChI=1S/C18H19NO3/c1-12-7-8-13(11-17(12)21-2)18(20)19-15-9-10-22-16-6-4-3-5-14(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,19,20)
InChIKeyZHAFHTPOXPPHJV-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417155
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417152
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxybenzamide
CID 26238768
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide (CID 18115323) is N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC2CCOc3ccccc32)ccc1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is ZHAFHTPOXPPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-7-8-13(11-17(12)21-2)18(20)19-15-9-10-22-16-6-4-3-5-14(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 18115323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).