N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide

C16H22N2O4 — CID 134057513

IUPACN-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC(=O)NCCNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-7-8-18-16(20)13-4-2-5-14(10-13)22-11-15-6-3-9-21-15/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyCPDJBTHXRFWWFW-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.11
Rot. Bonds7

About N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134057513) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID134057513
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC(=O)NCCNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-7-8-18-16(20)13-4-2-5-14(10-13)22-11-15-6-3-9-21-15/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyCPDJBTHXRFWWFW-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 134057513) is N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide is CC(=O)NCCNC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is CPDJBTHXRFWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)17-7-8-18-16(20)13-4-2-5-14(10-13)22-11-15-6-3-9-21-15/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134057513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).