3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide

C14H21N3O2 — CID 60946441

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-4-7-17(9-13(16)18)14(19)11-6-5-10(2)12(15)8-11/h5-6,8H,3-4,7,9,15H2,1-2H3,(H2,16,18)
InChIKeyFAJJKGVOGNBYJE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds6

About 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide

3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide (PubChem CID 60946441) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
PubChem CID60946441
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-4-7-17(9-13(16)18)14(19)11-6-5-10(2)12(15)8-11/h5-6,8H,3-4,7,9,15H2,1-2H3,(H2,16,18)
InChIKeyFAJJKGVOGNBYJE-UHFFFAOYSA-N
XLogP1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.30
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

4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
4-amino-N-butyl-N-propylbenzamide
CID 127119640
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide (CID 60946441) is 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide is CCCCN(CC(N)=O)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide?
The InChIKey is FAJJKGVOGNBYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-4-7-17(9-13(16)18)14(19)11-6-5-10(2)12(15)8-11/h5-6,8H,3-4,7,9,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.30, 6 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-butyl-4-methylbenzamide is sourced from PubChem (CID 60946441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).