4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide

C14H20N2O2 — CID 111858640

IUPAC4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-16(9-13(17)11-6-7-11)8-10-2-4-12(5-3-10)14(15)18/h2-5,11,13,17H,6-9H2,1H3,(H2,15,18)
InChIKeyGSBDGCYMIXMMEU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.99
Rot. Bonds6

About 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide

4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide (PubChem CID 111858640) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
PubChem CID111858640
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-16(9-13(17)11-6-7-11)8-10-2-4-12(5-3-10)14(15)18/h2-5,11,13,17H,6-9H2,1H3,(H2,15,18)
InChIKeyGSBDGCYMIXMMEU-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate
CID 111858639
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide (CID 111858640) is 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)CC(O)C1CC1.
What is the InChIKey of 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide?
The InChIKey is GSBDGCYMIXMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(9-13(17)11-6-7-11)8-10-2-4-12(5-3-10)14(15)18/h2-5,11,13,17H,6-9H2,1H3,(H2,15,18).
What are the key properties of 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide?
4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 111858640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).