3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide

C14H21N3O3 — CID 61093294

IUPAC3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N
InChIInChI=1S/C14H21N3O3/c1-4-20-12-6-5-10(7-11(12)15)14(19)17(9(2)3)8-13(16)18/h5-7,9H,4,8,15H2,1-3H3,(H2,16,18)
InChIKeyOLCRYNZJWOOJQQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds6

About 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide

3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide (PubChem CID 61093294) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
PubChem CID61093294
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N
InChIInChI=1S/C14H21N3O3/c1-4-20-12-6-5-10(7-11(12)15)14(19)17(9(2)3)8-13(16)18/h5-7,9H,4,8,15H2,1-3H3,(H2,16,18)
InChIKeyOLCRYNZJWOOJQQ-UHFFFAOYSA-N
XLogP1.00
TPSA98.65 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 ≤ 51.00
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-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79725497
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
2-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82256759
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide (CID 61093294) is 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide is CCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?
The InChIKey is OLCRYNZJWOOJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-6-5-10(7-11(12)15)14(19)17(9(2)3)8-13(16)18/h5-7,9H,4,8,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 61093294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).