N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide

C26H35N3O4 — CID 22733599

IUPACN-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)NC(C(=O)c1ccccn1)C(C)(C)C
InChIInChI=1S/C26H35N3O4/c1-5-6-14-21(17-29(19-30)33-18-20-12-8-7-9-13-20)25(32)28-24(26(2,3)4)23(31)22-15-10-11-16-27-22/h7-13,15-16,19,21,24H,5-6,14,17-18H2,1-4H3,(H,28,32)
InChIKeyGIIAKFPKUSJXLP-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.19
Rot. Bonds13

About N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide

N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide (PubChem CID 22733599) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
PubChem CID22733599
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)NC(C(=O)c1ccccn1)C(C)(C)C
InChIInChI=1S/C26H35N3O4/c1-5-6-14-21(17-29(19-30)33-18-20-12-8-7-9-13-20)25(32)28-24(26(2,3)4)23(31)22-15-10-11-16-27-22/h7-13,15-16,19,21,24H,5-6,14,17-18H2,1-4H3,(H,28,32)
InChIKeyGIIAKFPKUSJXLP-UHFFFAOYSA-N
XLogP4.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[formyl(phenylmethoxy)amino]methyl]-N-[1-(4-hydroxyphenyl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305304
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide;(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 158362695
N-(3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 20752860
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
(2S)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[hydroxy(phenylmethoxy)amino]methyl]hexanamide
CID 101132423
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(furan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305227
[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
CID 90688847
5-bromo-N-[[2-[[formyl(phenylmethoxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 118225866
(2R)-N-[(3S)-2,9-dioxo-1,8-diazacyclotetradec-3-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59032136
N-[1-[benzyl(2-phenylethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096262

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide?
The IUPAC name of N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide (CID 22733599) is N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide is CCCCC(CN(C=O)OCc1ccccc1)C(=O)NC(C(=O)c1ccccn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide?
The InChIKey is GIIAKFPKUSJXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-5-6-14-21(17-29(19-30)33-18-20-12-8-7-9-13-20)25(32)28-24(26(2,3)4)23(31)22-15-10-11-16-27-22/h7-13,15-16,19,21,24H,5-6,14,17-18H2,1-4H3,(H,28,32).
What are the key properties of N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide?
N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide has a molecular weight of 453.58 g/mol, XLogP of 4.19, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide is sourced from PubChem (CID 22733599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).