N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide

C19H21NO3 — CID 110750844

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C19H21NO3/c1-22-15-6-4-5-14(13-15)9-10-19(21)20-17-11-12-23-18-8-3-2-7-16(17)18/h2-8,13,17H,9-12H2,1H3,(H,20,21)
InChIKeyGKRFQOKSQMTZMV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.27
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 110750844) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID110750844
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C19H21NO3/c1-22-15-6-4-5-14(13-15)9-10-19(21)20-17-11-12-23-18-8-3-2-7-16(17)18/h2-8,13,17H,9-12H2,1H3,(H,20,21)
InChIKeyGKRFQOKSQMTZMV-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972
3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547257
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111597543
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 24543199
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
CID 95974632
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 16600556
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide (CID 110750844) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is GKRFQOKSQMTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-15-6-4-5-14(13-15)9-10-19(21)20-17-11-12-23-18-8-3-2-7-16(17)18/h2-8,13,17H,9-12H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.27, 5 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110750844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).