N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide

C18H25NO4 — CID 91775341

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H25NO4/c20-18(13-21-12-16-5-1-2-8-22-16)19-11-14-6-7-17-15(10-14)4-3-9-23-17/h6-7,10,16H,1-5,8-9,11-13H2,(H,19,20)
InChIKeyAFJGWAOIOMKRQX-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.21
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91775341) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91775341
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H25NO4/c20-18(13-21-12-16-5-1-2-8-22-16)19-11-14-6-7-17-15(10-14)4-3-9-23-17/h6-7,10,16H,1-5,8-9,11-13H2,(H,19,20)
InChIKeyAFJGWAOIOMKRQX-UHFFFAOYSA-N
XLogP2.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 38164885
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide (CID 91775341) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide is O=C(COCC1CCCCO1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is AFJGWAOIOMKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-18(13-21-12-16-5-1-2-8-22-16)19-11-14-6-7-17-15(10-14)4-3-9-23-17/h6-7,10,16H,1-5,8-9,11-13H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91775341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).