N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C18H25NO4 — CID 155996372

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN(C(=O)Cc1ccc2c(c1)CCCC2)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H25NO4/c1-19(15-10-23-11-16(20)18(15)22)17(21)9-12-6-7-13-4-2-3-5-14(13)8-12/h6-8,15-16,18,20,22H,2-5,9-11H2,1H3/t15-,16-,18+/m1/s1
InChIKeyJGWATTUIALGQFO-NUJGCVRESA-N
MW319.40 g/mol
LogP0.69
Rot. Bonds3

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 155996372) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID155996372
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN(C(=O)Cc1ccc2c(c1)CCCC2)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H25NO4/c1-19(15-10-23-11-16(20)18(15)22)17(21)9-12-6-7-13-4-2-3-5-14(13)8-12/h6-8,15-16,18,20,22H,2-5,9-11H2,1H3/t15-,16-,18+/m1/s1
InChIKeyJGWATTUIALGQFO-NUJGCVRESA-N
XLogP0.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide
CID 91795555
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 60547812
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 110165070
1-(4-amino-3-methyloxolan-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116563204
N-cyclobutyl-N-(2-hydroxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 102684894
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100664449
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 155996372) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CN(C(=O)Cc1ccc2c(c1)CCCC2)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is JGWATTUIALGQFO-NUJGCVRESA-N. The full InChI is InChI=1S/C18H25NO4/c1-19(15-10-23-11-16(20)18(15)22)17(21)9-12-6-7-13-4-2-3-5-14(13)8-12/h6-8,15-16,18,20,22H,2-5,9-11H2,1H3/t15-,16-,18+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 155996372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).