3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C14H21N3O3 — CID 106913786

IUPAC3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-10(7-11(15)9-12)14(19)17(3)6-5-13(18)16-2/h7-9H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyKJDAFAQSRKNHFO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds6

About 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913786) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913786
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CCC(=O)NC)c1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-10(7-11(15)9-12)14(19)17(3)6-5-13(18)16-2/h7-9H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyKJDAFAQSRKNHFO-UHFFFAOYSA-N
XLogP0.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106913786) is 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CCOc1cc(N)cc(C(=O)N(C)CCC(=O)NC)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is KJDAFAQSRKNHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-8-10(7-11(15)9-12)14(19)17(3)6-5-13(18)16-2/h7-9H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).