N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide

C12H18N2O3 — CID 63753944

IUPACN-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CC(C)N)c1
InChIInChI=1S/C12H18N2O3/c1-8(13)7-14(2)12(16)10-6-9(17-3)4-5-11(10)15/h4-6,8,15H,7,13H2,1-3H3
InChIKeyVCOVJRJSKPAUBY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.82
Rot. Bonds4

About N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide

N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide (PubChem CID 63753944) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
PubChem CID63753944
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CC(C)N)c1
InChIInChI=1S/C12H18N2O3/c1-8(13)7-14(2)12(16)10-6-9(17-3)4-5-11(10)15/h4-6,8,15H,7,13H2,1-3H3
InChIKeyVCOVJRJSKPAUBY-UHFFFAOYSA-N
XLogP0.82
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide (CID 63753944) is N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide is COc1ccc(O)c(C(=O)N(C)CC(C)N)c1.
What is the InChIKey of N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The InChIKey is VCOVJRJSKPAUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(13)7-14(2)12(16)10-6-9(17-3)4-5-11(10)15/h4-6,8,15H,7,13H2,1-3H3.
What are the key properties of N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 63753944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).