N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide

C17H26N2O4 — CID 163816079

IUPACN-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C2(COC3CCCCO3)CCCCC2)N1O
InChIInChI=1S/C17H26N2O4/c1-13(20)18-15-11-14(19(15)21)17(8-4-2-5-9-17)12-23-16-7-3-6-10-22-16/h11,16,21H,2-10,12H2,1H3/b18-15+
InChIKeyAHOLQTALZINHQR-OBGWFSINSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds4

About N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide

N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide (PubChem CID 163816079) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide
PubChem CID163816079
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide
SMILESCC(=O)/N=C1\C=C(C2(COC3CCCCO3)CCCCC2)N1O
InChIInChI=1S/C17H26N2O4/c1-13(20)18-15-11-14(19(15)21)17(8-4-2-5-9-17)12-23-16-7-3-6-10-22-16/h11,16,21H,2-10,12H2,1H3/b18-15+
InChIKeyAHOLQTALZINHQR-OBGWFSINSA-N
XLogP3.01
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 45110255
3-(cyclobutylmethylsulfonyl)-3-methyl-1-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
CID 58042581
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
tert-butyl N-[(1R)-1-[1-(benzenesulfonyl)cyclopropyl]-2-(oxan-2-yloxy)ethyl]carbamate
CID 11144370
2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
CID 71323020
2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 88998631
2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
CID 58297315
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide?
The IUPAC name of N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide (CID 163816079) is N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide.
What is the SMILES notation for N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide?
The canonical SMILES for N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide is CC(=O)/N=C1\C=C(C2(COC3CCCCO3)CCCCC2)N1O.
What is the InChIKey of N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide?
The InChIKey is AHOLQTALZINHQR-OBGWFSINSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(20)18-15-11-14(19(15)21)17(8-4-2-5-9-17)12-23-16-7-3-6-10-22-16/h11,16,21H,2-10,12H2,1H3/b18-15+.
What are the key properties of N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide?
N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide is sourced from PubChem (CID 163816079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).