2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide

C17H33N5O4 — CID 170449138

IUPAC2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide
SMILESC/C(CCC(=O)NCCCCC(NC(=O)CNC(C)(C)C)C(N)=O)=N/O
InChIInChI=1S/C17H33N5O4/c1-12(22-26)8-9-14(23)19-10-6-5-7-13(16(18)25)21-15(24)11-20-17(2,3)4/h13,20,26H,5-11H2,1-4H3,(H2,18,25)(H,19,23)(H,21,24)/b22-12-
InChIKeyLTBCGTDISNPVMF-UUYOSTAYSA-N
MW371.48 g/mol
LogP0.26
Rot. Bonds12

About 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide

2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide (PubChem CID 170449138) has the molecular formula C17H33N5O4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide
PubChem CID170449138
Molecular FormulaC17H33N5O4
Molecular Weight371.48 g/mol
Exact Mass371.25
IUPAC Name2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide
SMILESC/C(CCC(=O)NCCCCC(NC(=O)CNC(C)(C)C)C(N)=O)=N/O
InChIInChI=1S/C17H33N5O4/c1-12(22-26)8-9-14(23)19-10-6-5-7-13(16(18)25)21-15(24)11-20-17(2,3)4/h13,20,26H,5-11H2,1-4H3,(H2,18,25)(H,19,23)(H,21,24)/b22-12-
InChIKeyLTBCGTDISNPVMF-UUYOSTAYSA-N
XLogP0.26
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
[(2S)-1-[[2-[[(2S)-1-amino-6-(3-carboxypropanoylamino)-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
CID 121232380
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
CID 89108510
CID 89108510
2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide
CID 123991027
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
2,6-bis(4-oxopentanoylamino)hexanoic acid
CID 59434222
tert-butyl N-(5-acetamido-6-amino-6-oxohexyl)carbamate
CID 87998149
(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
2-acetamido-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide;2-acetamido-3-sulfanylpropanamide
CID 162166379
(2S)-6-[3-(tert-butylamino)propanoylamino]-2-[3-[[(2S)-2-(methylamino)propanoyl]amino]propanoylamino]hexanoic acid
CID 146580229
12-[12-(2,6-diaminohexanoylamino)dodecanoylamino]-N-(1,6-diamino-1-oxohexan-2-yl)dodecanamide
CID 25143771

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide (CID 170449138) is 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide is C/C(CCC(=O)NCCCCC(NC(=O)CNC(C)(C)C)C(N)=O)=N/O.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide?
The InChIKey is LTBCGTDISNPVMF-UUYOSTAYSA-N. The full InChI is InChI=1S/C17H33N5O4/c1-12(22-26)8-9-14(23)19-10-6-5-7-13(16(18)25)21-15(24)11-20-17(2,3)4/h13,20,26H,5-11H2,1-4H3,(H2,18,25)(H,19,23)(H,21,24)/b22-12-.
What are the key properties of 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide?
2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide has a molecular weight of 371.48 g/mol, XLogP of 0.26, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide is sourced from PubChem (CID 170449138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).