3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide

C19H22N2O3 — CID 17197485

IUPAC3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-10-6-8-15(12-17)19(23)21-16-9-5-7-14(11-16)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRYQVRXXAGTWMFP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds6

About 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide

3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 17197485) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID17197485
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-10-6-8-15(12-17)19(23)21-16-9-5-7-14(11-16)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRYQVRXXAGTWMFP-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
3-[(3-ethoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 17197743
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide (CID 17197485) is 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide is CCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is RYQVRXXAGTWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-17-10-6-8-15(12-17)19(23)21-16-9-5-7-14(11-16)18(22)20-13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide?
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).