N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide

C37H66N6O6 — CID 20675850

IUPACN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide
SMILESCCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O
InChIInChI=1S/C37H66N6O6/c1-13-16-17-18-29(26(8)44)42-21-24(6)19-30(35(42)47)41(12)37(49)32(23(4)5)43-22-25(7)20-31(36(43)48)40(11)34(46)28(15-3)39(10)33(45)27(14-2)38-9/h23-25,27-32,38H,13-22H2,1-12H3
InChIKeyWUUXURXZGDVFPW-UHFFFAOYSA-N
MW690.97 g/mol
LogP3.17
Rot. Bonds17

About N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide

N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide (PubChem CID 20675850) has the molecular formula C37H66N6O6 and a molecular weight of 690.97 g/mol. Its IUPAC name is N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide
PubChem CID20675850
Molecular FormulaC37H66N6O6
Molecular Weight690.97 g/mol
Exact Mass690.50
IUPAC NameN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide
SMILESCCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O
InChIInChI=1S/C37H66N6O6/c1-13-16-17-18-29(26(8)44)42-21-24(6)19-30(35(42)47)41(12)37(49)32(23(4)5)43-22-25(7)20-31(36(43)48)40(11)34(46)28(15-3)39(10)33(45)27(14-2)38-9/h23-25,27-32,38H,13-22H2,1-12H3
InChIKeyWUUXURXZGDVFPW-UHFFFAOYSA-N
XLogP3.17
TPSA130.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.97
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide with MolForge

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Related Compounds

(S)-2-((S)-4-((S)-2-((S)-3-Isobutyl-2-oxopiperazin-1-yl)-4-methylpentanoyl)-3-methyl-2-oxopiperazin-1-yl)pentanediamide
CID 71664643
cyclo[Aoda-Asp(tBu)(tBu)-Ile-D-Pip]
CID 56675096
cyclo[Aoda-Asp(decyl)(decyl)-Ile-D-Pip]
CID 56668202
(2S)-2,6-diamino-1-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]hexan-1-one
CID 44592906
1-[4-[1-[(2S)-2,6-diaminohexanoyl]piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592922
cyclo[Abu-Sar-D-N(Me)Leu-D-Val-D-N(Me)Leu-Ala-D-Ala-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Nle(Et)(Et)]
CID 73351785
Oligooxopoerazine-23-L(Nle)AQ
CID 86302292
1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-cyclohexylbutanoyl]piperidine-3-carboxamide
CID 16732149
(2S)-2-amino-4-methyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide
CID 44330804
(2S)-2,6-diamino-N-[2-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]ethyl]hexanamide
CID 44592921
N-[2-[[(2S)-6-amino-1-[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]-(4-methylpentanoyl)amino]ethylamino]-1-oxohexan-2-yl]-(4-methylpentanoyl)amino]ethyl]hexadecanamide
CID 66559645
cyclo[N(Me)Ala-Aoda-N(CH2cHex)Gly-N(iBu)bAla]
CID 71455164

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide?
The IUPAC name of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide (CID 20675850) is N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide?
The canonical SMILES for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide is CCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O.
What is the InChIKey of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide?
The InChIKey is WUUXURXZGDVFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66N6O6/c1-13-16-17-18-29(26(8)44)42-21-24(6)19-30(35(42)47)41(12)37(49)32(23(4)5)43-22-25(7)20-31(36(43)48)40(11)34(46)28(15-3)39(10)33(45)27(14-2)38-9/h23-25,27-32,38H,13-22H2,1-12H3.
What are the key properties of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide?
N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide has a molecular weight of 690.97 g/mol, XLogP of 3.17, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxooctan-3-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 20675850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).