4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide

C30H57N5O5 — CID 146233526

IUPAC4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide
SMILESCCCC(NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)C)C(=O)NC
InChIInChI=1S/C30H57N5O5/c1-14-15-22(26(36)31-10)32-27(37)23(16-18(2)3)33(11)30(40)25(20(6)7)35(13)29(39)24(17-19(4)5)34(12)28(38)21(8)9/h18-25H,14-17H2,1-13H3,(H,31,36)(H,32,37)
InChIKeyOBOIEXAUPQAJSJ-UHFFFAOYSA-N
MW567.82 g/mol
LogP2.90
Rot. Bonds16

About 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide

4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide (PubChem CID 146233526) has the molecular formula C30H57N5O5 and a molecular weight of 567.82 g/mol. Its IUPAC name is 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide
PubChem CID146233526
Molecular FormulaC30H57N5O5
Molecular Weight567.82 g/mol
Exact Mass567.44
IUPAC Name4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide
SMILESCCCC(NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)C)C(=O)NC
InChIInChI=1S/C30H57N5O5/c1-14-15-22(26(36)31-10)32-27(37)23(16-18(2)3)33(11)30(40)25(20(6)7)35(13)29(39)24(17-19(4)5)34(12)28(38)21(8)9/h18-25H,14-17H2,1-13H3,(H,31,36)(H,32,37)
InChIKeyOBOIEXAUPQAJSJ-UHFFFAOYSA-N
XLogP2.90
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide?
The IUPAC name of 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide (CID 146233526) is 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide.
What is the SMILES notation for 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide?
The canonical SMILES for 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide is CCCC(NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)C)C(=O)NC.
What is the InChIKey of 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide?
The InChIKey is OBOIEXAUPQAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N5O5/c1-14-15-22(26(36)31-10)32-27(37)23(16-18(2)3)33(11)30(40)25(20(6)7)35(13)29(39)24(17-19(4)5)34(12)28(38)21(8)9/h18-25H,14-17H2,1-13H3,(H,31,36)(H,32,37).
What are the key properties of 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide?
4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide has a molecular weight of 567.82 g/mol, XLogP of 2.90, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(methylamino)-1-oxopentan-2-yl]-2-[methyl-[3-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]butanoyl]amino]pentanamide is sourced from PubChem (CID 146233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).