N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide

C13H18N2O4 — CID 65315325

IUPACN-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC(CO)CO
InChIInChI=1S/C13H18N2O4/c1-9(12(18)15-11(7-16)8-17)14-13(19)10-5-3-2-4-6-10/h2-6,9,11,16-17H,7-8H2,1H3,(H,14,19)(H,15,18)
InChIKeyGOAHPTPGWLTQMB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.73
Rot. Bonds6

About N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide

N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 65315325) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID65315325
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC(CO)CO
InChIInChI=1S/C13H18N2O4/c1-9(12(18)15-11(7-16)8-17)14-13(19)10-5-3-2-4-6-10/h2-6,9,11,16-17H,7-8H2,1H3,(H,14,19)(H,15,18)
InChIKeyGOAHPTPGWLTQMB-UHFFFAOYSA-N
XLogP-0.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
2-[[(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 54198703
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide (CID 65315325) is N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NC(CO)CO.
What is the InChIKey of N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is GOAHPTPGWLTQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(18)15-11(7-16)8-17)14-13(19)10-5-3-2-4-6-10/h2-6,9,11,16-17H,7-8H2,1H3,(H,14,19)(H,15,18).
What are the key properties of N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide?
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 266.30 g/mol, XLogP of -0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 65315325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).