methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate

C20H36N2O4 — CID 3242508

IUPACmethyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate
SMILESCCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C20H36N2O4/c1-7-14(5)17(19(24)21-16(12(2)3)20(25)26-6)22-18(23)15-10-8-13(4)9-11-15/h12-17H,7-11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBIODKAMHLHVLIO-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.66
Rot. Bonds8

About methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate

methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate (PubChem CID 3242508) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate
PubChem CID3242508
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Namemethyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate
SMILESCCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C20H36N2O4/c1-7-14(5)17(19(24)21-16(12(2)3)20(25)26-6)22-18(23)15-10-8-13(4)9-11-15/h12-17H,7-11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBIODKAMHLHVLIO-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate with MolForge

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
methyl N-[(4-methylcyclohexyl)carbonyl]isoleucylmethioninate
CID 9551521
methyl N-(cyclohexylcarbonyl)glycylmethioninate
CID 3241521
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
ethyl 4-{N-[(4-methylcyclohexyl)carbonyl]valyl}piperazine-1-carboxylate
CID 3241156
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
methyl N-[(4-methylcyclohexyl)carbonyl]valylmethioninate
CID 3236479
methyl N-[(4-methylcyclohexyl)carbonyl]leucylvalinate
CID 9550205
Methyl 2-{2-[(4-hexylcyclohexyl)formamido]-4-(methylsulfanyl)butanamido}-3-methylbutanoate
CID 9551522
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate (CID 3242508) is methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate is CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate?
The InChIKey is BIODKAMHLHVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-7-14(5)17(19(24)21-16(12(2)3)20(25)26-6)22-18(23)15-10-8-13(4)9-11-15/h12-17H,7-11H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate?
methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate has a molecular weight of 368.52 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]butanoate is sourced from PubChem (CID 3242508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).