N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide

C26H26N4O2 — CID 87927831

IUPACN-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-2-30(17-27)25(31)24(15-18-12-13-19-8-6-7-11-21(19)14-18)29-26(32)28-23-16-22(23)20-9-4-3-5-10-20/h3-14,22-24H,2,15-16H2,1H3,(H2,28,29,32)
InChIKeyFVMNYMUOIHTHDX-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.94
Rot. Bonds7

About N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide

N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide (PubChem CID 87927831) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
PubChem CID87927831
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-2-30(17-27)25(31)24(15-18-12-13-19-8-6-7-11-21(19)14-18)29-26(32)28-23-16-22(23)20-9-4-3-5-10-20/h3-14,22-24H,2,15-16H2,1H3,(H2,28,29,32)
InChIKeyFVMNYMUOIHTHDX-UHFFFAOYSA-N
XLogP3.94
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-naphthalen-2-yl-2-[(2-phenylcyclopropyl)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

4-acetamido-N-[1-[cyano(ethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 87927939
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide
CID 87927472
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
CID 87927086
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[[(1S)-1-phenylethyl]carbamoylamino]propanamide
CID 87926952
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
CID 87927796
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
cyanomethyl N-[1-[cyano(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 87926752
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]propanamide
CID 87927857
tert-butyl N-[(2R)-1-(diethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 11624892
N-cyano-N-ethyl-3-(4-hydroxyphenyl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide
CID 87926871

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide?
The IUPAC name of N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide (CID 87927831) is N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide.
What is the SMILES notation for N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide?
The canonical SMILES for N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide is CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)NC1CC1c1ccccc1.
What is the InChIKey of N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide?
The InChIKey is FVMNYMUOIHTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-30(17-27)25(31)24(15-18-12-13-19-8-6-7-11-21(19)14-18)29-26(32)28-23-16-22(23)20-9-4-3-5-10-20/h3-14,22-24H,2,15-16H2,1H3,(H2,28,29,32).
What are the key properties of N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide?
N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide has a molecular weight of 426.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide is sourced from PubChem (CID 87927831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).