3-[(3-propoxyphenyl)methylamino]benzamide

C17H20N2O2 — CID 61016518

IUPAC3-[(3-propoxyphenyl)methylamino]benzamide
SMILESCCCOc1cccc(CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H20N2O2/c1-2-9-21-16-8-3-5-13(10-16)12-19-15-7-4-6-14(11-15)17(18)20/h3-8,10-11,19H,2,9,12H2,1H3,(H2,18,20)
InChIKeyXSHFTOVLXQESJM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds7

About 3-[(3-propoxyphenyl)methylamino]benzamide

3-[(3-propoxyphenyl)methylamino]benzamide (PubChem CID 61016518) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(3-propoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(3-propoxyphenyl)methylamino]benzamide
PubChem CID61016518
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(3-propoxyphenyl)methylamino]benzamide
SMILESCCCOc1cccc(CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H20N2O2/c1-2-9-21-16-8-3-5-13(10-16)12-19-15-7-4-6-14(11-15)17(18)20/h3-8,10-11,19H,2,9,12H2,1H3,(H2,18,20)
InChIKeyXSHFTOVLXQESJM-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
3-propoxybenzamide
CID 22311435
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-[3-[(3-propoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044223
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
3-methylsulfanyl-N-[(3-propoxyphenyl)methyl]aniline
CID 60961433
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propoxyphenyl)methylamino]benzamide?
The IUPAC name of 3-[(3-propoxyphenyl)methylamino]benzamide (CID 61016518) is 3-[(3-propoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(3-propoxyphenyl)methylamino]benzamide?
The canonical SMILES for 3-[(3-propoxyphenyl)methylamino]benzamide is CCCOc1cccc(CNc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[(3-propoxyphenyl)methylamino]benzamide?
The InChIKey is XSHFTOVLXQESJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-9-21-16-8-3-5-13(10-16)12-19-15-7-4-6-14(11-15)17(18)20/h3-8,10-11,19H,2,9,12H2,1H3,(H2,18,20).
What are the key properties of 3-[(3-propoxyphenyl)methylamino]benzamide?
3-[(3-propoxyphenyl)methylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 61016518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).