4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C15H24N2O4 — CID 107846242

IUPAC4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C15H24N2O4/c1-3-17(4-2)13-7-5-12(6-8-13)14(21)16-15(9-18,10-19)11-20/h5-8,18-20H,3-4,9-11H2,1-2H3,(H,16,21)
InChIKeyJXGWHAHKKMILLO-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.02
Rot. Bonds8

About 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 107846242) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID107846242
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C15H24N2O4/c1-3-17(4-2)13-7-5-12(6-8-13)14(21)16-15(9-18,10-19)11-20/h5-8,18-20H,3-4,9-11H2,1-2H3,(H,16,21)
InChIKeyJXGWHAHKKMILLO-UHFFFAOYSA-N
XLogP-0.02
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846638
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 107846242) is 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is JXGWHAHKKMILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-17(4-2)13-7-5-12(6-8-13)14(21)16-15(9-18,10-19)11-20/h5-8,18-20H,3-4,9-11H2,1-2H3,(H,16,21).
What are the key properties of 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of -0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 107846242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).