3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide

C23H21NO3 — CID 56547257

IUPAC3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C23H21NO3/c1-26-17-8-6-7-16(15-17)13-14-22(25)24-23-18-9-2-4-11-20(18)27-21-12-5-3-10-19(21)23/h2-12,15,23H,13-14H2,1H3,(H,24,25)
InChIKeyZAPGNIUMJPPNOY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.64
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide

3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide (PubChem CID 56547257) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
PubChem CID56547257
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C23H21NO3/c1-26-17-8-6-7-16(15-17)13-14-22(25)24-23-18-9-2-4-11-20(18)27-21-12-5-3-10-19(21)23/h2-12,15,23H,13-14H2,1H3,(H,24,25)
InChIKeyZAPGNIUMJPPNOY-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 7921022
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide (CID 56547257) is 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide is COc1cccc(CCC(=O)NC2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide?
The InChIKey is ZAPGNIUMJPPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-17-8-6-7-16(15-17)13-14-22(25)24-23-18-9-2-4-11-20(18)27-21-12-5-3-10-19(21)23/h2-12,15,23H,13-14H2,1H3,(H,24,25).
What are the key properties of 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide?
3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide is sourced from PubChem (CID 56547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).