N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide

C20H32N4O2 — CID 119526973

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H32N4O2/c1-14(2)15-8-10-16(11-9-15)18(21)12-22-19(25)13-23-20(26)24-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13,21H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyXMTSOIUPDPXJLI-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.56
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide (PubChem CID 119526973) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
PubChem CID119526973
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H32N4O2/c1-14(2)15-8-10-16(11-9-15)18(21)12-22-19(25)13-23-20(26)24-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13,21H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyXMTSOIUPDPXJLI-UHFFFAOYSA-N
XLogP2.56
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)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-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
3-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-2-phenylpropanoic acid
CID 119254873
2-(cyclohexylcarbamoylamino)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829409
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 154578033
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide (CID 119526973) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide is CC(C)c1ccc(C(N)CNC(=O)CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide?
The InChIKey is XMTSOIUPDPXJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14(2)15-8-10-16(11-9-15)18(21)12-22-19(25)13-23-20(26)24-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13,21H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide is sourced from PubChem (CID 119526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).