N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide

C13H20N2O3 — CID 65313573

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NC(CO)CO
InChIInChI=1S/C13H20N2O3/c1-9(2)14-12-6-4-3-5-11(12)13(18)15-10(7-16)8-17/h3-6,9-10,14,16-17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBQOHMSNLFCQXJC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.59
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide

N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide (PubChem CID 65313573) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
PubChem CID65313573
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NC(CO)CO
InChIInChI=1S/C13H20N2O3/c1-9(2)14-12-6-4-3-5-11(12)13(18)15-10(7-16)8-17/h3-6,9-10,14,16-17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBQOHMSNLFCQXJC-UHFFFAOYSA-N
XLogP0.59
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367
N-ethyl-2-(propan-2-ylamino)benzamide
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2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
CID 63108482
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-(1-hydroxy-2-methylbutan-2-yl)-2-(propan-2-ylamino)benzamide
CID 64549729
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide (CID 65313573) is N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide?
The InChIKey is BQOHMSNLFCQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)14-12-6-4-3-5-11(12)13(18)15-10(7-16)8-17/h3-6,9-10,14,16-17H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide?
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 65313573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).