N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide

C14H20N2O4 — CID 66169997

IUPACN-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
SMILESCC(O)(CO)CNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(20,10-17)9-16-12(18)7-8-15-13(19)11-5-3-2-4-6-11/h2-6,17,20H,7-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyBQBPRDGKOAMBSE-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.33
Rot. Bonds7

About N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide

N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide (PubChem CID 66169997) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
PubChem CID66169997
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
SMILESCC(O)(CO)CNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(20,10-17)9-16-12(18)7-8-15-13(19)11-5-3-2-4-6-11/h2-6,17,20H,7-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyBQBPRDGKOAMBSE-UHFFFAOYSA-N
XLogP-0.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 43391483
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide (CID 66169997) is N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide is CC(O)(CO)CNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide?
The InChIKey is BQBPRDGKOAMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(20,10-17)9-16-12(18)7-8-15-13(19)11-5-3-2-4-6-11/h2-6,17,20H,7-10H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide?
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 66169997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).