N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide

C25H24N4O4 — CID 87927796

IUPACN-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-2-29(17-26)24(31)23(16-18-8-12-20(30)13-9-18)28-25(32)27-19-10-14-22(15-11-19)33-21-6-4-3-5-7-21/h3-15,23,30H,2,16H2,1H3,(H2,27,28,32)
InChIKeyNQKXILPMJVUDFD-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.25
Rot. Bonds8

About N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide

N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide (PubChem CID 87927796) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
PubChem CID87927796
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-2-29(17-26)24(31)23(16-18-8-12-20(30)13-9-18)28-25(32)27-19-10-14-22(15-11-19)33-21-6-4-3-5-7-21/h3-15,23,30H,2,16H2,1H3,(H2,27,28,32)
InChIKeyNQKXILPMJVUDFD-UHFFFAOYSA-N
XLogP4.25
TPSA114.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide 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-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[[(1S)-1-phenylethyl]carbamoylamino]propanamide
CID 87926952
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide
CID 87926871
2-acetamido-N-cyano-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 87927918
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]propanamide
CID 87927857
cyanomethyl N-[1-[cyano(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 87926752
N-[1-[cyano(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide
CID 87926831
N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
CID 87927831
tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenyl]carbamoylamino]-3-phenylpropanoate
CID 69435159
N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-nitrophenyl)carbamoylamino]propanamide
CID 87927906
methyl (2S)-2-(ethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 140972892
3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoic acid
CID 4517788
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide (CID 87927796) is N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide is CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The InChIKey is NQKXILPMJVUDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-2-29(17-26)24(31)23(16-18-8-12-20(30)13-9-18)28-25(32)27-19-10-14-22(15-11-19)33-21-6-4-3-5-7-21/h3-15,23,30H,2,16H2,1H3,(H2,27,28,32).
What are the key properties of N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide has a molecular weight of 444.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 87927796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).