6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide

C18H28N4O4 — CID 175919267

IUPAC6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide
SMILESNOCC(=O)NCCCCC(NC(=O)CCCc1ccccc1)C(N)=O
InChIInChI=1S/C18H28N4O4/c19-18(25)15(10-4-5-12-21-17(24)13-26-20)22-16(23)11-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,20H2,(H2,19,25)(H,21,24)(H,22,23)
InChIKeyHIPBXOUUBHYLDT-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.16
Rot. Bonds13

About 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide

6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide (PubChem CID 175919267) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide.

Molecular Properties

Compound Name6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide
PubChem CID175919267
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide
SMILESNOCC(=O)NCCCCC(NC(=O)CCCc1ccccc1)C(N)=O
InChIInChI=1S/C18H28N4O4/c19-18(25)15(10-4-5-12-21-17(24)13-26-20)22-16(23)11-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,20H2,(H2,19,25)(H,21,24)(H,22,23)
InChIKeyHIPBXOUUBHYLDT-UHFFFAOYSA-N
XLogP0.16
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-[6-[[(4S)-4-carboxy-4-(4-phenylbutanoylamino)butanoyl]amino]hexanoylamino]-5-oxopentanoic acid
CID 70141954
6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
CID 159782051
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
5-(diaminomethylideneamino)-2-(3-phenylpropanoylamino)pentanoic acid
CID 142026144
2,6-bis[4-[4-(1,5-dichloropentan-3-yl)phenyl]butanoylamino]hexanoic acid
CID 58107663
N-[1-[4-(3-aminopropylamino)butylamino]-1-oxo-4-phenylbutan-2-yl]-7-(diaminomethylideneamino)heptanamide
CID 54581604
methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
CID 7897076
(2R)-5-(diaminomethylideneamino)-N-[(4-hydroxyphenyl)methyl]-2-(4-phenylbutanoylamino)pentanamide
CID 70277936
ethyl (2R)-6-oxo-6-(pentylamino)-2-[(2-phenylacetyl)amino]hexanoate
CID 101042782
methyl 2-[[3-phenyl-2-(6-phenylhexanoylamino)propanoyl]amino]propanoate
CID 123314292
2-(4-phenylbutanoylamino)-3-sulfopropanoic acid
CID 174624043
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(6-phenylhexanoylamino)hexanoic acid
CID 71530257

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide?
The IUPAC name of 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide (CID 175919267) is 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide.
What is the SMILES notation for 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide?
The canonical SMILES for 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide is NOCC(=O)NCCCCC(NC(=O)CCCc1ccccc1)C(N)=O.
What is the InChIKey of 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide?
The InChIKey is HIPBXOUUBHYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c19-18(25)15(10-4-5-12-21-17(24)13-26-20)22-16(23)11-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,20H2,(H2,19,25)(H,21,24)(H,22,23).
What are the key properties of 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide?
6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide has a molecular weight of 364.45 g/mol, XLogP of 0.16, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminooxyacetyl)amino]-2-(4-phenylbutanoylamino)hexanamide is sourced from PubChem (CID 175919267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).