2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen

C21H36N2O3 — CID 142869172

IUPAC2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen
SMILESCCC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccccc1C)C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C21H32N2O3.2H2/c1-5-21(3,4)26-20(25)23-18(16-12-7-6-8-13-16)19(24)22-17-14-10-9-11-15(17)2;;/h9-11,14,16,18H,5-8,12-13H2,1-4H3,(H,22,24)(H,23,25);2*1H/t18-;;/m1../s1
InChIKeyIAHQCNIXMPGVGT-JPKZNVRTSA-N
MW364.53 g/mol
LogP5.29
Rot. Bonds6

About 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen

2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen (PubChem CID 142869172) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen
PubChem CID142869172
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen
SMILESCCC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccccc1C)C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C21H32N2O3.2H2/c1-5-21(3,4)26-20(25)23-18(16-12-7-6-8-13-16)19(24)22-17-14-10-9-11-15(17)2;;/h9-11,14,16,18H,5-8,12-13H2,1-4H3,(H,22,24)(H,23,25);2*1H/t18-;;/m1../s1
InChIKeyIAHQCNIXMPGVGT-JPKZNVRTSA-N
XLogP5.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen with MolForge

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Related Compounds

2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene
CID 142110525
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260
methyl (2R)-3-[4-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-fluorophenyl]-2-(propanoylamino)propanoate
CID 154618364
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
tert-butyl (4S)-4-cycloheptyl-3-oxo-4-(phenylmethoxycarbonylamino)butanoate
CID 170598552
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen?
The IUPAC name of 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen (CID 142869172) is 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen.
What is the SMILES notation for 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen?
The canonical SMILES for 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen is CCC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccccc1C)C1CCCCC1.[H][H].[H][H].
What is the InChIKey of 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen?
The InChIKey is IAHQCNIXMPGVGT-JPKZNVRTSA-N. The full InChI is InChI=1S/C21H32N2O3.2H2/c1-5-21(3,4)26-20(25)23-18(16-12-7-6-8-13-16)19(24)22-17-14-10-9-11-15(17)2;;/h9-11,14,16,18H,5-8,12-13H2,1-4H3,(H,22,24)(H,23,25);2*1H/t18-;;/m1../s1.
What are the key properties of 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen?
2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen has a molecular weight of 364.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen is sourced from PubChem (CID 142869172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).