ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

C22H43N3O6S — CID 144951099

IUPACethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SMILESCC.CSCCC(NC(=O)OCC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)=O
InChIInChI=1S/C20H37N3O6S.C2H6/c1-12(2)9-16(19(27)22-17(10-24)14(5)25)21-18(26)15(7-8-30-6)23-20(28)29-11-13(3)4;1-2/h12-13,15-17,24H,7-11H2,1-6H3,(H,21,26)(H,22,27)(H,23,28);1-2H3
InChIKeyPKDLVIACURLJTR-UHFFFAOYSA-N
MW477.67 g/mol
LogP2.11
Rot. Bonds14

About ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (PubChem CID 144951099) has the molecular formula C22H43N3O6S and a molecular weight of 477.67 g/mol. Its IUPAC name is ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
PubChem CID144951099
Molecular FormulaC22H43N3O6S
Molecular Weight477.67 g/mol
Exact Mass477.29
IUPAC Nameethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SMILESCC.CSCCC(NC(=O)OCC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)=O
InChIInChI=1S/C20H37N3O6S.C2H6/c1-12(2)9-16(19(27)22-17(10-24)14(5)25)21-18(26)15(7-8-30-6)23-20(28)29-11-13(3)4;1-2/h12-13,15-17,24H,7-11H2,1-6H3,(H,21,26)(H,22,27)(H,23,28);1-2H3
InChIKeyPKDLVIACURLJTR-UHFFFAOYSA-N
XLogP2.11
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (CID 144951099) is ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is CC.CSCCC(NC(=O)OCC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)=O.
What is the InChIKey of ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The InChIKey is PKDLVIACURLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O6S.C2H6/c1-12(2)9-16(19(27)22-17(10-24)14(5)25)21-18(26)15(7-8-30-6)23-20(28)29-11-13(3)4;1-2/h12-13,15-17,24H,7-11H2,1-6H3,(H,21,26)(H,22,27)(H,23,28);1-2H3.
What are the key properties of ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate has a molecular weight of 477.67 g/mol, XLogP of 2.11, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropyl N-[1-[[1-[(1-hydroxy-3-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 144951099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).