3-amino-N-[4-(cyanomethoxy)phenyl]butanamide

C12H15N3O2 — CID 61248145

IUPAC3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H15N3O2/c1-9(14)8-12(16)15-10-2-4-11(5-3-10)17-7-6-13/h2-5,9H,7-8,14H2,1H3,(H,15,16)
InChIKeyARRYTBZERYLINP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide

3-amino-N-[4-(cyanomethoxy)phenyl]butanamide (PubChem CID 61248145) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
PubChem CID61248145
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H15N3O2/c1-9(14)8-12(16)15-10-2-4-11(5-3-10)17-7-6-13/h2-5,9H,7-8,14H2,1H3,(H,15,16)
InChIKeyARRYTBZERYLINP-UHFFFAOYSA-N
XLogP1.26
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide (CID 61248145) is 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide?
The InChIKey is ARRYTBZERYLINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(14)8-12(16)15-10-2-4-11(5-3-10)17-7-6-13/h2-5,9H,7-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide?
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide has a molecular weight of 233.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyanomethoxy)phenyl]butanamide is sourced from PubChem (CID 61248145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).