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

C12H17N3O2 — CID 43572610

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O2/c1-8(2)15(7-11(14)16)12(17)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3,(H2,14,16)
InChIKeyNUYXTDSJWQVGEX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.60
Rot. Bonds4

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

3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide (PubChem CID 43572610) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
PubChem CID43572610
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O2/c1-8(2)15(7-11(14)16)12(17)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3,(H2,14,16)
InChIKeyNUYXTDSJWQVGEX-UHFFFAOYSA-N
XLogP0.60
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
3-amino-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 43575153
3-[3-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 76910322
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 61093485
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide (CID 43572610) is 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide?
The InChIKey is NUYXTDSJWQVGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)15(7-11(14)16)12(17)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43572610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).