4-[2-(ethylamino)ethylamino]-2-methylbenzamide

C12H19N3O — CID 81279586

IUPAC4-[2-(ethylamino)ethylamino]-2-methylbenzamide
SMILESCCNCCNc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C12H19N3O/c1-3-14-6-7-15-10-4-5-11(12(13)16)9(2)8-10/h4-5,8,14-15H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyQVCRGXLGWHCFET-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.12
Rot. Bonds6

About 4-[2-(ethylamino)ethylamino]-2-methylbenzamide

4-[2-(ethylamino)ethylamino]-2-methylbenzamide (PubChem CID 81279586) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethylamino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethylamino]-2-methylbenzamide
PubChem CID81279586
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[2-(ethylamino)ethylamino]-2-methylbenzamide
SMILESCCNCCNc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C12H19N3O/c1-3-14-6-7-15-10-4-5-11(12(13)16)9(2)8-10/h4-5,8,14-15H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyQVCRGXLGWHCFET-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminobutylamino)-2-methylbenzamide
CID 81279593
4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
CID 114384441
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
4-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273308
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
3-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273843
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
3-(3,4-dimethylanilino)propanamide
CID 43131963

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethylamino]-2-methylbenzamide?
The IUPAC name of 4-[2-(ethylamino)ethylamino]-2-methylbenzamide (CID 81279586) is 4-[2-(ethylamino)ethylamino]-2-methylbenzamide.
What is the SMILES notation for 4-[2-(ethylamino)ethylamino]-2-methylbenzamide?
The canonical SMILES for 4-[2-(ethylamino)ethylamino]-2-methylbenzamide is CCNCCNc1ccc(C(N)=O)c(C)c1.
What is the InChIKey of 4-[2-(ethylamino)ethylamino]-2-methylbenzamide?
The InChIKey is QVCRGXLGWHCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-14-6-7-15-10-4-5-11(12(13)16)9(2)8-10/h4-5,8,14-15H,3,6-7H2,1-2H3,(H2,13,16).
What are the key properties of 4-[2-(ethylamino)ethylamino]-2-methylbenzamide?
4-[2-(ethylamino)ethylamino]-2-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethylamino]-2-methylbenzamide is sourced from PubChem (CID 81279586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).