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

C13H21N3O2 — CID 80730929

IUPACN-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)18-13-7-11(14)6-12(8-13)16-5-4-15-10(3)17/h6-9,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyFEXIZWKLUVXMEC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

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

N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide (PubChem CID 80730929) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
PubChem CID80730929
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)18-13-7-11(14)6-12(8-13)16-5-4-15-10(3)17/h6-9,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyFEXIZWKLUVXMEC-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-5-methylanilino)ethyl]acetamide
CID 59089860
2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
3-N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80734583
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
CID 122556142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide (CID 80730929) is N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide is CC(=O)NCCNc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide?
The InChIKey is FEXIZWKLUVXMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)18-13-7-11(14)6-12(8-13)16-5-4-15-10(3)17/h6-9,16H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide?
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide is sourced from PubChem (CID 80730929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).