N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide

C14H24N2O4 — CID 91447995

IUPACN-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
SMILES[H]/N=C(\CC(=O)NC(C)=O)C(C)(C)COC1CCCCO1
InChIInChI=1S/C14H24N2O4/c1-10(17)16-12(18)8-11(15)14(2,3)9-20-13-6-4-5-7-19-13/h13,15H,4-9H2,1-3H3,(H,16,17,18)/b15-11+
InChIKeyJHARIWXOJCFTBZ-RVDMUPIBSA-N
MW284.36 g/mol
LogP1.63
Rot. Bonds6

About N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide

N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide (PubChem CID 91447995) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide.

Molecular Properties

Compound NameN-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
PubChem CID91447995
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC NameN-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
SMILES[H]/N=C(\CC(=O)NC(C)=O)C(C)(C)COC1CCCCO1
InChIInChI=1S/C14H24N2O4/c1-10(17)16-12(18)8-11(15)14(2,3)9-20-13-6-4-5-7-19-13/h13,15H,4-9H2,1-3H3,(H,16,17,18)/b15-11+
InChIKeyJHARIWXOJCFTBZ-RVDMUPIBSA-N
XLogP1.63
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]-2-methylpropanoyl]-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
CID 91443752
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
CID 146176700
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
3-amino-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropanoyl]-4,4-dimethyl-5-(oxan-2-yloxy)pent-2-enamide
CID 148772878
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide?
The IUPAC name of N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide (CID 91447995) is N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide.
What is the SMILES notation for N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide?
The canonical SMILES for N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide is [H]/N=C(\CC(=O)NC(C)=O)C(C)(C)COC1CCCCO1.
What is the InChIKey of N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide?
The InChIKey is JHARIWXOJCFTBZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(17)16-12(18)8-11(15)14(2,3)9-20-13-6-4-5-7-19-13/h13,15H,4-9H2,1-3H3,(H,16,17,18)/b15-11+.
What are the key properties of N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide?
N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide has a molecular weight of 284.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide is sourced from PubChem (CID 91447995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).