N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C16H23NO4 — CID 107845444

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NC(CO)(CO)CO
InChIInChI=1S/C16H23NO4/c18-9-16(10-19,11-20)17-15(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h5-7,18-20H,1-4,8-11H2,(H,17,21)
InChIKeyPJKUJZMHXOXREZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP-0.06
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 107845444) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID107845444
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NC(CO)(CO)CO
InChIInChI=1S/C16H23NO4/c18-9-16(10-19,11-20)17-15(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h5-7,18-20H,1-4,8-11H2,(H,17,21)
InChIKeyPJKUJZMHXOXREZ-UHFFFAOYSA-N
XLogP-0.06
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
CID 87566146
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 107845444) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is PJKUJZMHXOXREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-9-16(10-19,11-20)17-15(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h5-7,18-20H,1-4,8-11H2,(H,17,21).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 293.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 107845444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).