N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide

C19H20N4O3 — CID 74229032

IUPACN-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-14(24)22-17-4-2-5-18(12-17)26-11-3-10-21-19(25)23-16-8-6-15(13-20)7-9-16/h2,4-9,12H,3,10-11H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyDIWPINCDHWTENA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.11
Rot. Bonds7

About N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide

N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide (PubChem CID 74229032) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
PubChem CID74229032
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-14(24)22-17-4-2-5-18(12-17)26-11-3-10-21-19(25)23-16-8-6-15(13-20)7-9-16/h2,4-9,12H,3,10-11H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyDIWPINCDHWTENA-UHFFFAOYSA-N
XLogP3.11
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
1-(4-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032855
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide (CID 74229032) is N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide?
The InChIKey is DIWPINCDHWTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14(24)22-17-4-2-5-18(12-17)26-11-3-10-21-19(25)23-16-8-6-15(13-20)7-9-16/h2,4-9,12H,3,10-11H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 74229032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).