N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide

C16H24N2O3 — CID 54825001

IUPACN-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
SMILESCCCOc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-2-8-20-14-6-3-5-13(10-14)17-12-16(19)18-11-15-7-4-9-21-15/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3,(H,18,19)
InChIKeyLCAZTRYCSQCWNJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.18
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide

N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide (PubChem CID 54825001) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
PubChem CID54825001
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
SMILESCCCOc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-2-8-20-14-6-3-5-13(10-14)17-12-16(19)18-11-15-7-4-9-21-15/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3,(H,18,19)
InChIKeyLCAZTRYCSQCWNJ-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836569
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
1-[[2-(3-methoxyanilino)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8654794
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide (CID 54825001) is N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide is CCCOc1cccc(NCC(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide?
The InChIKey is LCAZTRYCSQCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-8-20-14-6-3-5-13(10-14)17-12-16(19)18-11-15-7-4-9-21-15/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3,(H,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide?
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide is sourced from PubChem (CID 54825001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).