2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

C14H21N3O3 — CID 81420087

IUPAC2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C14H21N3O3/c1-4-16-13(18)9(3)17-14(19)12-10(15)7-6-8-11(12)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPAIVQZBPEJQQAR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.92
Rot. Bonds6

About 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 81420087) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID81420087
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C14H21N3O3/c1-4-16-13(18)9(3)17-14(19)12-10(15)7-6-8-11(12)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPAIVQZBPEJQQAR-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
CID 81414134
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
CID 106343706
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-6-ethoxybenzoate
CID 81396387

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 81420087) is 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)C(C)NC(=O)c1c(N)cccc1OCC.
What is the InChIKey of 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is PAIVQZBPEJQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-16-13(18)9(3)17-14(19)12-10(15)7-6-8-11(12)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 81420087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).