N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide

C16H26N2O2 — CID 130374524

IUPACN-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC(CC1=CCCC=C1)C(C)=O
InChIInChI=1S/C16H26N2O2/c1-13(19)15(12-14-8-4-3-5-9-14)18-16(20)10-6-7-11-17-2/h4,8-9,15,17H,3,5-7,10-12H2,1-2H3,(H,18,20)
InChIKeyLGRUCOSTLVYXDO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds9

About N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide

N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide (PubChem CID 130374524) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide
PubChem CID130374524
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC(CC1=CCCC=C1)C(C)=O
InChIInChI=1S/C16H26N2O2/c1-13(19)15(12-14-8-4-3-5-9-14)18-16(20)10-6-7-11-17-2/h4,8-9,15,17H,3,5-7,10-12H2,1-2H3,(H,18,20)
InChIKeyLGRUCOSTLVYXDO-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-[(2-cyclohexa-1,5-dien-1-ylacetyl)amino]acetyl]-N-(3-fluoro-2-oxopropyl)pyrrolidine-2-carboxamide
CID 155418284
N-[2-oxo-(z)-6-undecenyl]-acetamide
CID 129775954
N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
CID 138967080
N-[(3S,5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]-2,2,2-trifluoroacetamide
CID 156751181
(6S,8Z,10Z,12S)-12-acetyl-8-ethenyl-10-ethylidene-3-methyl-6-(methylamino)-1,4-diazacyclododec-8-ene-2,5-dione
CID 53889198
(E,2R,5S)-2-methyl-5-(methylamino)-N-(2-oxohexan-3-yl)hex-3-enamide
CID 53981508
(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide
CID 58173176
3-Acetyl-6,9-dimethyl-12-(methylamino)-4,7,10-triazabicyclo[12.2.1]heptadeca-1(17),15-diene-5,8,11-trione
CID 58481709
[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium
CID 58668208
N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
CID 67814195
3-amino-N-[2-[(2-amino-1-cyclohexa-1,3-dien-1-yl-2-oxoethyl)amino]-2-oxoethyl]-2-oxohexanamide
CID 70315106
3-amino-N-[2-[[1-cyclohexa-1,3-dien-1-yl-2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-oxopentanamide
CID 70317891

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide?
The IUPAC name of N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide (CID 130374524) is N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide.
What is the SMILES notation for N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide?
The canonical SMILES for N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide is CNCCCCC(=O)NC(CC1=CCCC=C1)C(C)=O.
What is the InChIKey of N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide?
The InChIKey is LGRUCOSTLVYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(19)15(12-14-8-4-3-5-9-14)18-16(20)10-6-7-11-17-2/h4,8-9,15,17H,3,5-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide?
N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,5-dien-1-yl-3-oxobutan-2-yl)-5-(methylamino)pentanamide is sourced from PubChem (CID 130374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).