2-amino-3-methoxy-N-(2-methoxypropyl)benzamide

C12H18N2O3 — CID 102694295

IUPAC2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C)OC)c1N
InChIInChI=1S/C12H18N2O3/c1-8(16-2)7-14-12(15)9-5-4-6-10(17-3)11(9)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyWTLNITMOPULWMO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide

2-amino-3-methoxy-N-(2-methoxypropyl)benzamide (PubChem CID 102694295) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
PubChem CID102694295
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
SMILESCOc1cccc(C(=O)NCC(C)OC)c1N
InChIInChI=1S/C12H18N2O3/c1-8(16-2)7-14-12(15)9-5-4-6-10(17-3)11(9)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyWTLNITMOPULWMO-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 83177577
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide
CID 113476878
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
CID 66090450
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2-amino-3-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698208

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide (CID 102694295) is 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide is COc1cccc(C(=O)NCC(C)OC)c1N.
What is the InChIKey of 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide?
The InChIKey is WTLNITMOPULWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(16-2)7-14-12(15)9-5-4-6-10(17-3)11(9)13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide?
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 102694295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).