5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

C18H22N2O2 — CID 120626212

IUPAC5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12(2)22-11-14-5-4-6-16(9-14)20-18(21)17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyDBOVPZHITGVVFZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds5

About 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (PubChem CID 120626212) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
PubChem CID120626212
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12(2)22-11-14-5-4-6-16(9-14)20-18(21)17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyDBOVPZHITGVVFZ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
methyl 3-[[3-[(5-amino-2-methylbenzoyl)amino]phenyl]methylsulfanyl]propanoate
CID 120631083
2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 167809651
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
CID 120632747
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (CID 120626212) is 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(COC(C)C)c1.
What is the InChIKey of 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The InChIKey is DBOVPZHITGVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)22-11-14-5-4-6-16(9-14)20-18(21)17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 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-[3-(propan-2-yloxymethyl)phenyl]benzamide is sourced from PubChem (CID 120626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).