N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide

C15H24N2O2 — CID 104548247

IUPACN-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NC(C)CC(C)O
InChIInChI=1S/C15H24N2O2/c1-11(10-12(2)18)17-15(19)14-7-5-4-6-13(14)8-9-16-3/h4-7,11-12,16,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyDPWZNMXYCOTCLH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.34
Rot. Bonds7

About N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide

N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104548247) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104548247
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NC(C)CC(C)O
InChIInChI=1S/C15H24N2O2/c1-11(10-12(2)18)17-15(19)14-7-5-4-6-13(14)8-9-16-3/h4-7,11-12,16,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyDPWZNMXYCOTCLH-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663
2-[2-(methylamino)ethyl]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 104548160
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
2-[2-(methylamino)ethyl]-N-(1-methylcyclohexyl)benzamide
CID 104547797
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide (CID 104548247) is N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is DPWZNMXYCOTCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(10-12(2)18)17-15(19)14-7-5-4-6-13(14)8-9-16-3/h4-7,11-12,16,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104548247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).