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

C20H22N2O4 — CID 95983192

IUPACN'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-7-4-5-14(11-16)12-21-18(23)19(24)22-13-20(25)10-9-15-6-2-3-8-17(15)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyHKXLABNSBHGIMH-FQEVSTJZSA-N
MW354.41 g/mol
LogP1.26
Rot. Bonds5

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

N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 95983192) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
PubChem CID95983192
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-7-4-5-14(11-16)12-21-18(23)19(24)22-13-20(25)10-9-15-6-2-3-8-17(15)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyHKXLABNSBHGIMH-FQEVSTJZSA-N
XLogP1.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 111110490
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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]-3-methoxybenzenesulfonamide
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N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801

Frequently Asked Questions

What is the IUPAC name of N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide (CID 95983192) is N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)c1.
What is the InChIKey of N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is HKXLABNSBHGIMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-16-7-4-5-14(11-16)12-21-18(23)19(24)22-13-20(25)10-9-15-6-2-3-8-17(15)20/h2-8,11,25H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)/t20-/m0/s1.
What are the key properties of N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide?
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 354.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 95983192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).