N-[2-(3-amino-5-methylanilino)ethyl]acetamide

C11H17N3O — CID 59089860

IUPACN-[2-(3-amino-5-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cc(N)c1
InChIInChI=1S/C11H17N3O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyDGFFGPYKZATLJT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds4

About N-[2-(3-amino-5-methylanilino)ethyl]acetamide

N-[2-(3-amino-5-methylanilino)ethyl]acetamide (PubChem CID 59089860) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(3-amino-5-methylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-5-methylanilino)ethyl]acetamide
PubChem CID59089860
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-(3-amino-5-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cc(N)c1
InChIInChI=1S/C11H17N3O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyDGFFGPYKZATLJT-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromo-5-methylanilino)ethyl]acetamide
CID 107583175
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
methyl 5-(2-acetamidoethylamino)-2-aminobenzoate
CID 61306597
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-5-methylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-amino-5-methylanilino)ethyl]acetamide (CID 59089860) is N-[2-(3-amino-5-methylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-amino-5-methylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-amino-5-methylanilino)ethyl]acetamide is CC(=O)NCCNc1cc(C)cc(N)c1.
What is the InChIKey of N-[2-(3-amino-5-methylanilino)ethyl]acetamide?
The InChIKey is DGFFGPYKZATLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-amino-5-methylanilino)ethyl]acetamide?
N-[2-(3-amino-5-methylanilino)ethyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-5-methylanilino)ethyl]acetamide is sourced from PubChem (CID 59089860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).