N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide

C14H22N2O3 — CID 103840032

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(18,10-16(2)3)9-15-13(17)11-6-5-7-12(8-11)19-4/h5-8,18H,9-10H2,1-4H3,(H,15,17)
InChIKeyRTBJDHQZJLSRIG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.74
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide (PubChem CID 103840032) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
PubChem CID103840032
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(18,10-16(2)3)9-15-13(17)11-6-5-7-12(8-11)19-4/h5-8,18H,9-10H2,1-4H3,(H,15,17)
InChIKeyRTBJDHQZJLSRIG-UHFFFAOYSA-N
XLogP0.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
CID 103839105
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide (CID 103840032) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(O)CN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide?
The InChIKey is RTBJDHQZJLSRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(18,10-16(2)3)9-15-13(17)11-6-5-7-12(8-11)19-4/h5-8,18H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide is sourced from PubChem (CID 103840032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).