(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide

C15H31N5O3 — CID 143048226

IUPAC(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
SMILESC/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC(N)=O)=N/O
InChIInChI=1S/C15H31N5O3/c1-11(19-22)14(2,3)17-9-6-10-18-15(4,5)12(20-23)7-8-13(16)21/h17-18,22-23H,6-10H2,1-5H3,(H2,16,21)/b19-11+,20-12+
InChIKeyGSUBYKGFVWISKR-AYKLPDECSA-N
MW329.45 g/mol
LogP1.06
Rot. Bonds11

About (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide

(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide (PubChem CID 143048226) has the molecular formula C15H31N5O3 and a molecular weight of 329.45 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
PubChem CID143048226
Molecular FormulaC15H31N5O3
Molecular Weight329.45 g/mol
Exact Mass329.24
IUPAC Name(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
SMILESC/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC(N)=O)=N/O
InChIInChI=1S/C15H31N5O3/c1-11(19-22)14(2,3)17-9-6-10-18-15(4,5)12(20-23)7-8-13(16)21/h17-18,22-23H,6-10H2,1-5H3,(H2,16,21)/b19-11+,20-12+
InChIKeyGSUBYKGFVWISKR-AYKLPDECSA-N
XLogP1.06
TPSA132.33 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
CID 143527571
N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
CID 163408611
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573
N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
CID 74050975
(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
CID 59692224
N'-[2-[bis[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethyl]-N-propylbutanediamide
CID 59107940
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
CID 91298685
(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 88571969
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
2-methyl-2-(3-methylsulfonylpropylamino)propanamide
CID 63190991

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide?
The IUPAC name of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide (CID 143048226) is (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide.
What is the SMILES notation for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide?
The canonical SMILES for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide is C/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC(N)=O)=N/O.
What is the InChIKey of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide?
The InChIKey is GSUBYKGFVWISKR-AYKLPDECSA-N. The full InChI is InChI=1S/C15H31N5O3/c1-11(19-22)14(2,3)17-9-6-10-18-15(4,5)12(20-23)7-8-13(16)21/h17-18,22-23H,6-10H2,1-5H3,(H2,16,21)/b19-11+,20-12+.
What are the key properties of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide?
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide has a molecular weight of 329.45 g/mol, XLogP of 1.06, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide is sourced from PubChem (CID 143048226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).