N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide

C12H16N2O3 — CID 114152583

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-7-4-3-5-8(2)10(7)12(17)14-6-9(15)11(13)16/h3-5,9,15H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIQAVSFKOTFIAOC-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.12
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide (PubChem CID 114152583) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
PubChem CID114152583
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-7-4-3-5-8(2)10(7)12(17)14-6-9(15)11(13)16/h3-5,9,15H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIQAVSFKOTFIAOC-UHFFFAOYSA-N
XLogP-0.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
N-(3-aminopentyl)-2,6-dimethylbenzamide
CID 114026646
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
CID 130774849

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide (CID 114152583) is N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide?
The InChIKey is IQAVSFKOTFIAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-4-3-5-8(2)10(7)12(17)14-6-9(15)11(13)16/h3-5,9,15H,6H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide has a molecular weight of 236.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114152583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).