N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide

C14H22N2O3 — CID 63699177

IUPACN-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-15(2)8-5-9-16(3)14(18)12-10-11(19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyIXXLQBCZRKTOLT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide

N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide (PubChem CID 63699177) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
PubChem CID63699177
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-15(2)8-5-9-16(3)14(18)12-10-11(19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyIXXLQBCZRKTOLT-UHFFFAOYSA-N
XLogP1.42
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
CID 120684507
2-bromo-5-methoxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114217626

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide (CID 63699177) is N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide is COc1ccc(O)c(C(=O)N(C)CCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide?
The InChIKey is IXXLQBCZRKTOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15(2)8-5-9-16(3)14(18)12-10-11(19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide?
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 63699177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).