4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide

C18H28N2O3 — CID 46603352

IUPAC4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCCCC(C)NC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-6-7-8-14(3)20-17(21)13-19-18(22)15-9-11-16(12-10-15)23-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVTZTYCNUXHHBQP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.90
Rot. Bonds10

About 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide

4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 46603352) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID46603352
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCCCC(C)NC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-6-7-8-14(3)20-17(21)13-19-18(22)15-9-11-16(12-10-15)23-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVTZTYCNUXHHBQP-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-decyl-4-ethoxybenzamide
CID 4123784
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 120520387
methyl 2-[[2-[(4-butoxybenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 75413045
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide (CID 46603352) is 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide is CCCCCC(C)NC(=O)CNC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is VTZTYCNUXHHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-6-7-8-14(3)20-17(21)13-19-18(22)15-9-11-16(12-10-15)23-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide?
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46603352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).