2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide

C21H33N3O2 — CID 8995556

IUPAC2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-15(2)21(24-14-20(26)23-13-19(25)22-3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,15-16,21,24H,4-8,13-14H2,1-3H3,(H,22,25)(H,23,26)/t21-/m1/s1
InChIKeyVNARNAGBEFOQLE-OAQYLSRUSA-N
MW359.51 g/mol
LogP2.88
Rot. Bonds8

About 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide

2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 8995556) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID8995556
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-15(2)21(24-14-20(26)23-13-19(25)22-3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,15-16,21,24H,4-8,13-14H2,1-3H3,(H,22,25)(H,23,26)/t21-/m1/s1
InChIKeyVNARNAGBEFOQLE-OAQYLSRUSA-N
XLogP2.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]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

2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 43013321
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8995537
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
[(1S)-1-(4-cyclohexylphenyl)-2-methylpropyl]-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8995508
[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8995510
N-(cyclopropylmethyl)-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78841972
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838175
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 8995556) is 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide is CNC(=O)CNC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C.
What is the InChIKey of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is VNARNAGBEFOQLE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15(2)21(24-14-20(26)23-13-19(25)22-3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,15-16,21,24H,4-8,13-14H2,1-3H3,(H,22,25)(H,23,26)/t21-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8995556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).