6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide

C19H36N4O3 — CID 91037180

IUPAC6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide
SMILESCNC(C(=O)NC(C=CCCNC(C)=O)C(=O)NC(C)C(C)C)C(C)C
InChIInChI=1S/C19H36N4O3/c1-12(2)14(5)22-18(25)16(10-8-9-11-21-15(6)24)23-19(26)17(20-7)13(3)4/h8,10,12-14,16-17,20H,9,11H2,1-7H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyOZSZGNBBOUAOAB-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.96
Rot. Bonds11

About 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide

6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide (PubChem CID 91037180) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide.

Molecular Properties

Compound Name6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide
PubChem CID91037180
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC Name6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide
SMILESCNC(C(=O)NC(C=CCCNC(C)=O)C(=O)NC(C)C(C)C)C(C)C
InChIInChI=1S/C19H36N4O3/c1-12(2)14(5)22-18(25)16(10-8-9-11-21-15(6)24)23-19(26)17(20-7)13(3)4/h8,10,12-14,16-17,20H,9,11H2,1-7H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyOZSZGNBBOUAOAB-UHFFFAOYSA-N
XLogP0.96
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 73352938
CID 73352938
CID 73356020
CID 73356020
CID 162649428
CID 162649428
CID 195972
CID 195972
CID 134836525
CID 134836525
CID 46191522
CID 46191522
CID 110244525
CID 110244525
CID 46900798
CID 46900798
CID 49766276
CID 49766276
CID 57696128
CID 57696128
CID 57824295
CID 57824295
CID 57824304
CID 57824304

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide?
The IUPAC name of 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide (CID 91037180) is 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide.
What is the SMILES notation for 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide?
The canonical SMILES for 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide is CNC(C(=O)NC(C=CCCNC(C)=O)C(=O)NC(C)C(C)C)C(C)C.
What is the InChIKey of 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide?
The InChIKey is OZSZGNBBOUAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-12(2)14(5)22-18(25)16(10-8-9-11-21-15(6)24)23-19(26)17(20-7)13(3)4/h8,10,12-14,16-17,20H,9,11H2,1-7H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide?
6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide has a molecular weight of 368.52 g/mol, XLogP of 0.96, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(3-methylbutan-2-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]hex-3-enamide is sourced from PubChem (CID 91037180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).