3-amino-N-(2-propan-2-yloxyphenyl)benzamide

C16H18N2O2 — CID 28722379

IUPAC3-amino-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)20-15-9-4-3-8-14(15)18-16(19)12-6-5-7-13(17)10-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMLUKDUAEDCWNFR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-N-(2-propan-2-yloxyphenyl)benzamide

3-amino-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 28722379) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID28722379
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)20-15-9-4-3-8-14(15)18-16(19)12-6-5-7-13(17)10-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMLUKDUAEDCWNFR-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.31
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

3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-propan-2-yloxyphenyl)benzamide (CID 28722379) is 3-amino-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is MLUKDUAEDCWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)20-15-9-4-3-8-14(15)18-16(19)12-6-5-7-13(17)10-12/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-propan-2-yloxyphenyl)benzamide?
3-amino-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 28722379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).