N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide

C20H23NO3 — CID 95983104

IUPACN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@]2(O)CCc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-24-17-9-6-15(7-10-17)8-11-19(22)21-14-20(23)13-12-16-4-2-3-5-18(16)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyQNJJBNBLRZPJPJ-FQEVSTJZSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds6

About N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 95983104) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID95983104
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@]2(O)CCc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-24-17-9-6-15(7-10-17)8-11-19(22)21-14-20(23)13-12-16-4-2-3-5-18(16)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyQNJJBNBLRZPJPJ-FQEVSTJZSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
CID 122138174
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(3-nitrophenyl)propanamide
CID 124594849
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90499051
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 95983104) is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC[C@@]2(O)CCc3ccccc32)cc1.
What is the InChIKey of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is QNJJBNBLRZPJPJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-17-9-6-15(7-10-17)8-11-19(22)21-14-20(23)13-12-16-4-2-3-5-18(16)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 95983104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).