3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide

C14H17N3O3 — CID 164604451

IUPAC3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide
SMILESCNC(=O)C(NC=O)C(C)OCc1cccc(C#N)c1
InChIInChI=1S/C14H17N3O3/c1-10(13(17-9-18)14(19)16-2)20-8-12-5-3-4-11(6-12)7-15/h3-6,9-10,13H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDUABYOAGQNQJJT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.32
Rot. Bonds7

About 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide

3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide (PubChem CID 164604451) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide.

Molecular Properties

Compound Name3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide
PubChem CID164604451
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide
SMILESCNC(=O)C(NC=O)C(C)OCc1cccc(C#N)c1
InChIInChI=1S/C14H17N3O3/c1-10(13(17-9-18)14(19)16-2)20-8-12-5-3-4-11(6-12)7-15/h3-6,9-10,13H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDUABYOAGQNQJJT-UHFFFAOYSA-N
XLogP0.32
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
3-(1-aminopropan-2-yloxymethyl)benzonitrile
CID 82352748
3-(methylaminomethoxymethyl)benzonitrile
CID 175011746
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
3-(1,1,1-trifluoropropan-2-yloxymethyl)benzonitrile
CID 66275457
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
(3-cyanophenyl)methyl 2-phenylpropanoate
CID 175581307
2-cyano-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
CID 62312798
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide?
The IUPAC name of 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide (CID 164604451) is 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide.
What is the SMILES notation for 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide?
The canonical SMILES for 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide is CNC(=O)C(NC=O)C(C)OCc1cccc(C#N)c1.
What is the InChIKey of 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide?
The InChIKey is DUABYOAGQNQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(13(17-9-18)14(19)16-2)20-8-12-5-3-4-11(6-12)7-15/h3-6,9-10,13H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide?
3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide has a molecular weight of 275.31 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenyl)methoxy]-2-formamido-N-methylbutanamide is sourced from PubChem (CID 164604451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).