N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

C19H17N3O3 — CID 60613009

IUPACN,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(CC#N)CC#N)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-15-2-4-17(5-3-15)25-18-8-6-16(7-9-18)24-14-19(23)22(12-10-20)13-11-21/h2-9H,12-14H2,1H3
InChIKeyPTZXKKXUEPQORA-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.04
Rot. Bonds7

About N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 60613009) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID60613009
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(CC#N)CC#N)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-15-2-4-17(5-3-15)25-18-8-6-16(7-9-18)24-14-19(23)22(12-10-20)13-11-21/h2-9H,12-14H2,1H3
InChIKeyPTZXKKXUEPQORA-UHFFFAOYSA-N
XLogP3.04
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 82130690
N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55580815
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316955
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N-(cyclohexylmethyl)-N-ethyl-2-(4-methylphenoxy)acetamide
CID 67511309
2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
CID 106312020
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
N,N-bis(cyanomethyl)-3-phenoxypropanamide
CID 60592055

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 60613009) is N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)N(CC#N)CC#N)cc2)cc1.
What is the InChIKey of N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is PTZXKKXUEPQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-15-2-4-17(5-3-15)25-18-8-6-16(7-9-18)24-14-19(23)22(12-10-20)13-11-21/h2-9H,12-14H2,1H3.
What are the key properties of N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 60613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).