N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide

C20H29N3O4 — CID 124754716

IUPACN-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC3(CC2)OCCC[C@H]3O)cc1
InChIInChI=1S/C20H29N3O4/c1-15(24)22-17-6-4-16(5-7-17)13-21-19(26)14-23-10-8-20(9-11-23)18(25)3-2-12-27-20/h4-7,18,25H,2-3,8-14H2,1H3,(H,21,26)(H,22,24)/t18-/m1/s1
InChIKeyOTDPJOVDHUIQGW-GOSISDBHSA-N
MW375.47 g/mol
LogP1.27
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide

N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 124754716) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
PubChem CID124754716
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC3(CC2)OCCC[C@H]3O)cc1
InChIInChI=1S/C20H29N3O4/c1-15(24)22-17-6-4-16(5-7-17)13-21-19(26)14-23-10-8-20(9-11-23)18(25)3-2-12-27-20/h4-7,18,25H,2-3,8-14H2,1H3,(H,21,26)(H,22,24)/t18-/m1/s1
InChIKeyOTDPJOVDHUIQGW-GOSISDBHSA-N
XLogP1.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
CID 124846288
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 110156796
N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
CID 91843310
N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124757287
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 110167176
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide (CID 124754716) is N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide is CC(=O)Nc1ccc(CNC(=O)CN2CCC3(CC2)OCCC[C@H]3O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is OTDPJOVDHUIQGW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(24)22-17-6-4-16(5-7-17)13-21-19(26)14-23-10-8-20(9-11-23)18(25)3-2-12-27-20/h4-7,18,25H,2-3,8-14H2,1H3,(H,21,26)(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 124754716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).