3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide

C16H26N2O2 — CID 79477369

IUPAC3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC)CC(C)CC)cc1N
InChIInChI=1S/C16H26N2O2/c1-5-12(4)11-18(6-2)16(19)13-8-9-15(20-7-3)14(17)10-13/h8-10,12H,5-7,11,17H2,1-4H3
InChIKeyDMNYWLJUMCUKIA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds7

About 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide

3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide (PubChem CID 79477369) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
PubChem CID79477369
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC)CC(C)CC)cc1N
InChIInChI=1S/C16H26N2O2/c1-5-12(4)11-18(6-2)16(19)13-8-9-15(20-7-3)14(17)10-13/h8-10,12H,5-7,11,17H2,1-4H3
InChIKeyDMNYWLJUMCUKIA-UHFFFAOYSA-N
XLogP3.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
CID 82258520
2-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82256759
1-(3-amino-4-ethoxyphenyl)-2-(N-ethylanilino)butan-1-one
CID 82256734
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
2-ethylbutyl 3-amino-4-ethoxybenzoate
CID 82930597
2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide (CID 79477369) is 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide is CCOc1ccc(C(=O)N(CC)CC(C)CC)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide?
The InChIKey is DMNYWLJUMCUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(4)11-18(6-2)16(19)13-8-9-15(20-7-3)14(17)10-13/h8-10,12H,5-7,11,17H2,1-4H3.
What are the key properties of 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide?
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 79477369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).