N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide

C15H29N5O2 — CID 162387185

IUPACN-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CC(N)=O)C(/C=N/CC)=N/N
InChIInChI=1S/C15H29N5O2/c1-3-5-6-7-8-9-15(22)19-12(10-14(16)21)13(20-17)11-18-4-2/h11-12H,3-10,17H2,1-2H3,(H2,16,21)(H,19,22)/b18-11+,20-13+/t12-/m1/s1
InChIKeyYUKZXSKIALAFHX-VXNMRKDMSA-N
MW311.43 g/mol
LogP1.11
Rot. Bonds12

About N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide

N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide (PubChem CID 162387185) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide.

Molecular Properties

Compound NameN-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide
PubChem CID162387185
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC NameN-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CC(N)=O)C(/C=N/CC)=N/N
InChIInChI=1S/C15H29N5O2/c1-3-5-6-7-8-9-15(22)19-12(10-14(16)21)13(20-17)11-18-4-2/h11-12H,3-10,17H2,1-2H3,(H2,16,21)(H,19,22)/b18-11+,20-13+/t12-/m1/s1
InChIKeyYUKZXSKIALAFHX-VXNMRKDMSA-N
XLogP1.11
TPSA122.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide with MolForge

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Related Compounds

(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
(5S)-5-chloro-6,6-dimethyl-3-(octanoylamino)-4-oxoheptanamide
CID 166884598
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
4-[[4-amino-2-(dodecanoylamino)-4-oxobutanoyl]amino]butanoic acid
CID 174194142
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2R)-N-methoxy-N-methyl-2-(octanoylamino)butanediamide
CID 162387523
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078
methyl (2S)-2-[[(2R)-4-amino-2-(octanoylamino)-4-oxobutanoyl]-methylamino]propanoate
CID 162387318
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide?
The IUPAC name of N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide (CID 162387185) is N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide.
What is the SMILES notation for N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide?
The canonical SMILES for N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide is CCCCCCCC(=O)N[C@H](CC(N)=O)C(/C=N/CC)=N/N.
What is the InChIKey of N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide?
The InChIKey is YUKZXSKIALAFHX-VXNMRKDMSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-3-5-6-7-8-9-15(22)19-12(10-14(16)21)13(20-17)11-18-4-2/h11-12H,3-10,17H2,1-2H3,(H2,16,21)(H,19,22)/b18-11+,20-13+/t12-/m1/s1.
What are the key properties of N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide?
N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide has a molecular weight of 311.43 g/mol, XLogP of 1.11, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4Z)-1-amino-5-ethylimino-4-hydrazinylidene-1-oxopentan-3-yl]octanamide is sourced from PubChem (CID 162387185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).