4-amino-N-(2-propoxyphenyl)benzamide

C16H18N2O2 — CID 3239968

IUPAC4-amino-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-20-15-6-4-3-5-14(15)18-16(19)12-7-9-13(17)10-8-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeySWEOBMNHIBUKMH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.31
Rot. Bonds5

About 4-amino-N-(2-propoxyphenyl)benzamide

4-amino-N-(2-propoxyphenyl)benzamide (PubChem CID 3239968) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-propoxyphenyl)benzamide
PubChem CID3239968
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-20-15-6-4-3-5-14(15)18-16(19)12-7-9-13(17)10-8-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeySWEOBMNHIBUKMH-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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CID 72092
Mepronil
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Otilonium
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Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
2-(Cyclopropanesulfonamido)-N-(2-ethoxyphenyl)benzamide
CID 71598556
Mazapertine
CID 60820
2-Ethoxy-2'-ethyloxanilide
CID 90303
3-Amino-4-methoxybenzanilide
CID 8426
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
VU0357121
CID 2296132
N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 710605

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-amino-N-(2-propoxyphenyl)benzamide (CID 3239968) is 4-amino-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-amino-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-propoxyphenyl)benzamide?
The InChIKey is SWEOBMNHIBUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-20-15-6-4-3-5-14(15)18-16(19)12-7-9-13(17)10-8-12/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-propoxyphenyl)benzamide?
4-amino-N-(2-propoxyphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 3239968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).