5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide

C18H22N2O2 — CID 120636277

IUPAC5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
SMILESCc1ccccc1OC(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H22N2O2/c1-12-8-9-15(19)10-16(12)18(21)20-11-14(3)22-17-7-5-4-6-13(17)2/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyNHRDTEKLDMILJB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.08
Rot. Bonds5

About 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide

5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide (PubChem CID 120636277) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
PubChem CID120636277
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
SMILESCc1ccccc1OC(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H22N2O2/c1-12-8-9-15(19)10-16(12)18(21)20-11-14(3)22-17-7-5-4-6-13(17)2/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyNHRDTEKLDMILJB-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
CID 120625790
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide
CID 122148813

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide (CID 120636277) is 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide is Cc1ccccc1OC(C)CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide?
The InChIKey is NHRDTEKLDMILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-9-15(19)10-16(12)18(21)20-11-14(3)22-17-7-5-4-6-13(17)2/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide?
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 120636277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).