N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide

C14H22N2O2 — CID 107222500

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccccc1CCNC
InChIInChI=1S/C14H22N2O2/c1-3-12(10-17)16-14(18)13-7-5-4-6-11(13)8-9-15-2/h4-7,12,15,17H,3,8-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyIRTNNJGHQSOXOJ-LBPRGKRZSA-N
MW250.34 g/mol
LogP0.95
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide

N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide (PubChem CID 107222500) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
PubChem CID107222500
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccccc1CCNC
InChIInChI=1S/C14H22N2O2/c1-3-12(10-17)16-14(18)13-7-5-4-6-11(13)8-9-15-2/h4-7,12,15,17H,3,8-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyIRTNNJGHQSOXOJ-LBPRGKRZSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104548247
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190
2-[2-(methylamino)ethyl]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 104548160
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide (CID 107222500) is N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide is CC[C@@H](CO)NC(=O)c1ccccc1CCNC.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is IRTNNJGHQSOXOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(10-17)16-14(18)13-7-5-4-6-11(13)8-9-15-2/h4-7,12,15,17H,3,8-10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 107222500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).