2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide

C16H24N2O3 — CID 134017885

IUPAC2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-8-12(2)18-16(20)13-9-6-7-10-14(13)21-11-15(17)19/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZVVRXOHKPGTGSO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.25
Rot. Bonds9

About 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide

2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide (PubChem CID 134017885) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
PubChem CID134017885
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-8-12(2)18-16(20)13-9-6-7-10-14(13)21-11-15(17)19/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZVVRXOHKPGTGSO-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.25
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

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CID 4673195
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2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
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N-butan-2-yl-2-propoxybenzamide
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2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
2-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-pentoxybenzohydrazide
CID 54793215
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide (CID 134017885) is 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide?
The InChIKey is ZVVRXOHKPGTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-8-12(2)18-16(20)13-9-6-7-10-14(13)21-11-15(17)19/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide?
2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide is sourced from PubChem (CID 134017885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).