3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide

C17H20N2O3 — CID 39423304

IUPAC3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C17H20N2O3/c1-11(2)22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-3)15(18)10-12/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyFIUYUFXQXQSEMD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide

3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 39423304) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID39423304
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C17H20N2O3/c1-11(2)22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-3)15(18)10-12/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyFIUYUFXQXQSEMD-UHFFFAOYSA-N
XLogP3.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.32
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

4-[(3-amino-4-methoxybenzoyl)amino]benzenesulfonic acid
CID 21406545
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
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2-methoxy-5-propan-2-yloxyaniline
CID 10081024
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
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CID 107618351

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide (CID 39423304) is 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is FIUYUFXQXQSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-3)15(18)10-12/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 39423304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).