2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol

C27H56N6O6 — CID 170598207

IUPAC2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol
SMILESCC(C)O.CC1CCCCC1.CCN.CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(C)=O
InChIInChI=1S/C15H27N5O5.C7H14.C3H8O.C2H7N/c1-9(2)5-11(20-10(3)21)15(25)19-8-14(24)18-7-13(23)17-6-12(22)16-4;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h9,11H,5-8H2,1-4H3,(H,16,22)(H,17,23)(H,18,24)(H,19,25)(H,20,21);7H,2-6H2,1H3;3-4H,1-2H3;2-3H2,1H3
InChIKeyUGNGHRNJYVAUSE-UHFFFAOYSA-N
MW560.78 g/mol
LogP0.57
Rot. Bonds10

About 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol

2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol (PubChem CID 170598207) has the molecular formula C27H56N6O6 and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol.

Molecular Properties

Compound Name2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol
PubChem CID170598207
Molecular FormulaC27H56N6O6
Molecular Weight560.78 g/mol
Exact Mass560.43
IUPAC Name2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol
SMILESCC(C)O.CC1CCCCC1.CCN.CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(C)=O
InChIInChI=1S/C15H27N5O5.C7H14.C3H8O.C2H7N/c1-9(2)5-11(20-10(3)21)15(25)19-8-14(24)18-7-13(23)17-6-12(22)16-4;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h9,11H,5-8H2,1-4H3,(H,16,22)(H,17,23)(H,18,24)(H,19,25)(H,20,21);7H,2-6H2,1H3;3-4H,1-2H3;2-3H2,1H3
InChIKeyUGNGHRNJYVAUSE-UHFFFAOYSA-N
XLogP0.57
TPSA191.75 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.78
LogP ≤ 50.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol with MolForge

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Related Compounds

ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane
CID 168915317
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
CID 144649100
(2S)-N-[2-[(4-acetamidocyclohexyl)amino]-2-oxoethyl]-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanamide
CID 130388241
[1-[[2-[(2-acetamido-4-methylpentanoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 142234996
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
CID 7009642
CID 170598325
CID 170598325
[(1R)-1-[[2-[[(2S)-2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]ethyl]boronic acid
CID 177380481
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoic acid
CID 88862190
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 102528239

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol?
The IUPAC name of 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol (CID 170598207) is 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol.
What is the SMILES notation for 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol?
The canonical SMILES for 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol is CC(C)O.CC1CCCCC1.CCN.CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(C)=O.
What is the InChIKey of 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol?
The InChIKey is UGNGHRNJYVAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O5.C7H14.C3H8O.C2H7N/c1-9(2)5-11(20-10(3)21)15(25)19-8-14(24)18-7-13(23)17-6-12(22)16-4;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h9,11H,5-8H2,1-4H3,(H,16,22)(H,17,23)(H,18,24)(H,19,25)(H,20,21);7H,2-6H2,1H3;3-4H,1-2H3;2-3H2,1H3.
What are the key properties of 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol?
2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol has a molecular weight of 560.78 g/mol, XLogP of 0.57, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol is sourced from PubChem (CID 170598207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).