N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide

C15H24N2O4 — CID 103841084

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H24N2O4/c1-15(19,10-17(2)3)9-16-14(18)13-11(20-4)7-6-8-12(13)21-5/h6-8,19H,9-10H2,1-5H3,(H,16,18)
InChIKeyZNVNSNQKOIRCBR-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.75
Rot. Bonds7

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide (PubChem CID 103841084) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
PubChem CID103841084
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H24N2O4/c1-15(19,10-17(2)3)9-16-14(18)13-11(20-4)7-6-8-12(13)21-5/h6-8,19H,9-10H2,1-5H3,(H,16,18)
InChIKeyZNVNSNQKOIRCBR-UHFFFAOYSA-N
XLogP0.75
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
CID 103839105
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
CID 103839551
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide
CID 103840058

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide (CID 103841084) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide?
The InChIKey is ZNVNSNQKOIRCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(19,10-17(2)3)9-16-14(18)13-11(20-4)7-6-8-12(13)21-5/h6-8,19H,9-10H2,1-5H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 103841084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).