4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

C15H21NO3 — CID 114751099

IUPAC4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(CCO)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-13-5-3-12(4-6-13)14(18)16-11-15(7-8-15)9-10-17/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyGRHBQOVFHCYLIJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds7

About 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 114751099) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
PubChem CID114751099
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(CCO)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-13-5-3-12(4-6-13)14(18)16-11-15(7-8-15)9-10-17/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyGRHBQOVFHCYLIJ-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
CID 114757262
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-sulfanylbenzamide
CID 107036494
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-methyl-3-nitrobenzamide
CID 114751351
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (CID 114751099) is 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is CCOc1ccc(C(=O)NCC2(CCO)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is GRHBQOVFHCYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-13-5-3-12(4-6-13)14(18)16-11-15(7-8-15)9-10-17/h3-6,17H,2,7-11H2,1H3,(H,16,18).
What are the key properties of 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 114751099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).