4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide

C27H52N6O5 — CID 123147003

IUPAC4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)C(CC(C)C)N(C)C(C=O)(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC
InChIInChI=1S/C27H52N6O5/c1-17(2)12-21(28-9)24(37)31-26(8,15-34)30-20(7)23(36)32-27(16-35,14-19(5)6)33(11)22(13-18(3)4)25(38)29-10/h15-22,28,30H,12-14H2,1-11H3,(H,29,38)(H,31,37)(H,32,36)
InChIKeyOBBNCUKKOPQCBC-UHFFFAOYSA-N
MW540.75 g/mol
LogP0.78
Rot. Bonds18

About 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide

4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide (PubChem CID 123147003) has the molecular formula C27H52N6O5 and a molecular weight of 540.75 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
PubChem CID123147003
Molecular FormulaC27H52N6O5
Molecular Weight540.75 g/mol
Exact Mass540.40
IUPAC Name4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)C(CC(C)C)N(C)C(C=O)(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC
InChIInChI=1S/C27H52N6O5/c1-17(2)12-21(28-9)24(37)31-26(8,15-34)30-20(7)23(36)32-27(16-35,14-19(5)6)33(11)22(13-18(3)4)25(38)29-10/h15-22,28,30H,12-14H2,1-11H3,(H,29,38)(H,31,37)(H,32,36)
InChIKeyOBBNCUKKOPQCBC-UHFFFAOYSA-N
XLogP0.78
TPSA148.74 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.75
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide with MolForge

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Related Compounds

4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 123318733
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
3,4-dimethyl-2-[methyl-[3-methyl-2-[methyl-[5-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[[2-[[4-methyl-2-(methylamino)pentanoyl]amino]-1-oxopropan-2-yl]amino]propanoyl]amino]butanoyl]amino]hexanoyl]amino]butanoyl]amino]-N-[1-[methyl-[1-[methyl-[4-methyl-2-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-8-oxo-8-piperidin-1-yloctanamide
CID 123479142
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
CID 135143266
2-[2-[[2-[[2-[[2-[[2-[[2-[butanoyl(methyl)amino]-2-[[1-(dimethylamino)cyclobutyl]methylsulfanyl]acetyl]-methylamino]-4-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]-1-oxopropan-2-yl]amino]propanoyl-methylamino]-N,4-dimethylpentanamide
CID 123297918
(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide
CID 89013212
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
(2S)-2-[hydroxy(methyl)amino]-4-methylpentanoic acid;(2S)-4-methyl-2-(methylamino)pentanoic acid
CID 87981029
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
CID 50994387
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide (CID 123147003) is 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide is CNC(=O)C(CC(C)C)N(C)C(C=O)(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC.
What is the InChIKey of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The InChIKey is OBBNCUKKOPQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N6O5/c1-17(2)12-21(28-9)24(37)31-26(8,15-34)30-20(7)23(36)32-27(16-35,14-19(5)6)33(11)22(13-18(3)4)25(38)29-10/h15-22,28,30H,12-14H2,1-11H3,(H,29,38)(H,31,37)(H,32,36).
What are the key properties of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide has a molecular weight of 540.75 g/mol, XLogP of 0.78, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 123147003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).