cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane

C33H63N5O5 — CID 159032143

IUPACcyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CC(C)[C@@H](CN1CCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.O=COC1CCC1
InChIInChI=1S/C18H32N4O3.C6H13N.C5H8O2.C4H10/c1-14(2)16(20(3)17(24)11-19-13-23)12-22-10-6-7-15(22)18(25)21-8-4-5-9-21;1-7-5-3-2-4-6-7;6-4-7-5-2-1-3-5;1-4(2)3/h13-16H,4-12H2,1-3H3,(H,19,23);2-6H2,1H3;4-5H,1-3H2;4H,1-3H3/t15-,16+;;;/m0.../s1
InChIKeyJVABQGVDHRRITH-NYVNNJFHSA-N
MW609.90 g/mol
LogP3.78
Rot. Bonds10

About cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane

cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane (PubChem CID 159032143) has the molecular formula C33H63N5O5 and a molecular weight of 609.90 g/mol. Its IUPAC name is cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane.

Molecular Properties

Compound Namecyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane
PubChem CID159032143
Molecular FormulaC33H63N5O5
Molecular Weight609.90 g/mol
Exact Mass609.48
IUPAC Namecyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CC(C)[C@@H](CN1CCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.O=COC1CCC1
InChIInChI=1S/C18H32N4O3.C6H13N.C5H8O2.C4H10/c1-14(2)16(20(3)17(24)11-19-13-23)12-22-10-6-7-15(22)18(25)21-8-4-5-9-21;1-7-5-3-2-4-6-7;6-4-7-5-2-1-3-5;1-4(2)3/h13-16H,4-12H2,1-3H3,(H,19,23);2-6H2,1H3;4-5H,1-3H2;4H,1-3H3/t15-,16+;;;/m0.../s1
InChIKeyJVABQGVDHRRITH-NYVNNJFHSA-N
XLogP3.78
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane?
The IUPAC name of cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane (CID 159032143) is cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane.
What is the SMILES notation for cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane?
The canonical SMILES for cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane is CC(C)C.CC(C)[C@@H](CN1CCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.O=COC1CCC1.
What is the InChIKey of cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane?
The InChIKey is JVABQGVDHRRITH-NYVNNJFHSA-N. The full InChI is InChI=1S/C18H32N4O3.C6H13N.C5H8O2.C4H10/c1-14(2)16(20(3)17(24)11-19-13-23)12-22-10-6-7-15(22)18(25)21-8-4-5-9-21;1-7-5-3-2-4-6-7;6-4-7-5-2-1-3-5;1-4(2)3/h13-16H,4-12H2,1-3H3,(H,19,23);2-6H2,1H3;4-5H,1-3H2;4H,1-3H3/t15-,16+;;;/m0.../s1.
What are the key properties of cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane?
cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane has a molecular weight of 609.90 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl formate;2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]acetamide;1-methylpiperidine;2-methylpropane is sourced from PubChem (CID 159032143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).