2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C24H36N4O — CID 8995537

IUPAC2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C24H36N4O/c1-16(2)23(21-13-11-20(12-14-21)19-9-7-6-8-10-19)25-15-22(29)26-24-17(3)27-28(5)18(24)4/h11-14,16,19,23,25H,6-10,15H2,1-5H3,(H,26,29)/t23-/m1/s1
InChIKeyMORCVXXHAQQTQC-HSZRJFAPSA-N
MW396.58 g/mol
LogP5.01
Rot. Bonds7

About 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 8995537) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID8995537
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C24H36N4O/c1-16(2)23(21-13-11-20(12-14-21)19-9-7-6-8-10-19)25-15-22(29)26-24-17(3)27-28(5)18(24)4/h11-14,16,19,23,25H,6-10,15H2,1-5H3,(H,26,29)/t23-/m1/s1
InChIKeyMORCVXXHAQQTQC-HSZRJFAPSA-N
XLogP5.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8995556
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-[[1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 43013321
(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide
CID 9152102
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838175
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 8995537) is 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C.
What is the InChIKey of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MORCVXXHAQQTQC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H36N4O/c1-16(2)23(21-13-11-20(12-14-21)19-9-7-6-8-10-19)25-15-22(29)26-24-17(3)27-28(5)18(24)4/h11-14,16,19,23,25H,6-10,15H2,1-5H3,(H,26,29)/t23-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 396.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8995537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).