4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide

C14H22N2O2 — CID 79031417

IUPAC4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H](C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)14(18)15-11(3)10-17/h6-9,11,17H,4-5,10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyRBWCNBVSPFOIOD-LLVKDONJSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds6

About 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide

4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide (PubChem CID 79031417) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
PubChem CID79031417
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H](C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)14(18)15-11(3)10-17/h6-9,11,17H,4-5,10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyRBWCNBVSPFOIOD-LLVKDONJSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
CID 139765270
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
4-ethynyl-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 101217626
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide (CID 79031417) is 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)N[C@H](C)CO)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is RBWCNBVSPFOIOD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)14(18)15-11(3)10-17/h6-9,11,17H,4-5,10H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 79031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).