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

C13H19N3O3 — CID 43572598

IUPAC3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)16(7-12(15)17)13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H2,15,17)
InChIKeyWHWDZBAPLHLBRA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.61
Rot. Bonds5

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

3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 43572598) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
PubChem CID43572598
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)16(7-12(15)17)13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H2,15,17)
InChIKeyWHWDZBAPLHLBRA-UHFFFAOYSA-N
XLogP0.61
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.61
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-ethoxy-N-propan-2-ylbenzamide
CID 61093294
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79725497
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
N-(2-amino-2-hydroxyiminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79731686
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide (CID 43572598) is 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CC(N)=O)C(C)C)cc1N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is WHWDZBAPLHLBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16(7-12(15)17)13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.61, 5 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-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 43572598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).