(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide

C16H31N3O2 — CID 166777670

IUPAC(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
SMILESC/C=C(/CC(NC(=O)C(C)NC)C(=O)NC)C(C)CCC
InChIInChI=1S/C16H31N3O2/c1-7-9-11(3)13(8-2)10-14(16(21)18-6)19-15(20)12(4)17-5/h8,11-12,14,17H,7,9-10H2,1-6H3,(H,18,21)(H,19,20)/b13-8-
InChIKeyWLUUABYHBLGCEV-JYRVWZFOSA-N
MW297.44 g/mol
LogP1.60
Rot. Bonds9

About (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide

(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide (PubChem CID 166777670) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide.

Molecular Properties

Compound Name(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
PubChem CID166777670
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
SMILESC/C=C(/CC(NC(=O)C(C)NC)C(=O)NC)C(C)CCC
InChIInChI=1S/C16H31N3O2/c1-7-9-11(3)13(8-2)10-14(16(21)18-6)19-15(20)12(4)17-5/h8,11-12,14,17H,7,9-10H2,1-6H3,(H,18,21)(H,19,20)/b13-8-
InChIKeyWLUUABYHBLGCEV-JYRVWZFOSA-N
XLogP1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide with MolForge

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Related Compounds

(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
N-methyl-2-[2-[2-(methylamino)propanoylamino]propanoylamino]butanediamide
CID 142463784
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide
CID 71159117
5-methyl-2-(methylamino)octan-3-one
CID 116564979
N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide
CID 167270444
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide?
The IUPAC name of (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide (CID 166777670) is (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide.
What is the SMILES notation for (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide?
The canonical SMILES for (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide is C/C=C(/CC(NC(=O)C(C)NC)C(=O)NC)C(C)CCC.
What is the InChIKey of (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide?
The InChIKey is WLUUABYHBLGCEV-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-7-9-11(3)13(8-2)10-14(16(21)18-6)19-15(20)12(4)17-5/h8,11-12,14,17H,7,9-10H2,1-6H3,(H,18,21)(H,19,20)/b13-8-.
What are the key properties of (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide?
(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide has a molecular weight of 297.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide is sourced from PubChem (CID 166777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).