3-[(3-ethoxyphenyl)methylamino]benzamide

C16H18N2O2 — CID 60874641

IUPAC3-[(3-ethoxyphenyl)methylamino]benzamide
SMILESCCOc1cccc(CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-8-3-5-12(9-15)11-18-14-7-4-6-13(10-14)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyITBAJCYILWQIIV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds6

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

3-[(3-ethoxyphenyl)methylamino]benzamide (PubChem CID 60874641) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]benzamide
PubChem CID60874641
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(3-ethoxyphenyl)methylamino]benzamide
SMILESCCOc1cccc(CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-8-3-5-12(9-15)11-18-14-7-4-6-13(10-14)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyITBAJCYILWQIIV-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
3-[[4-[(3-ethoxyanilino)methyl]phenyl]methylamino]benzoic acid
CID 166909603
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
methyl 3-[(4-ethoxyphenyl)methylamino]benzoate
CID 43217515
3-[(3-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4987566
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]benzamide?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]benzamide (CID 60874641) is 3-[(3-ethoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]benzamide?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]benzamide is CCOc1cccc(CNc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]benzamide?
The InChIKey is ITBAJCYILWQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15-8-3-5-12(9-15)11-18-14-7-4-6-13(10-14)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19).
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]benzamide?
3-[(3-ethoxyphenyl)methylamino]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 60874641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).