N-(1,1-dimethoxyethyl)formamide

C5H11NO3 — CID 57315952

IUPACN-(1,1-dimethoxyethyl)formamide
SMILESCOC(C)(NC=O)OC
InChIInChI=1S/C5H11NO3/c1-5(8-2,9-3)6-4-7/h4H,1-3H3,(H,6,7)
InChIKeyJETMXJJCFBFTIM-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.30
Rot. Bonds4

About N-(1,1-dimethoxyethyl)formamide

N-(1,1-dimethoxyethyl)formamide (PubChem CID 57315952) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(1,1-dimethoxyethyl)formamide.

Molecular Properties

Compound NameN-(1,1-dimethoxyethyl)formamide
PubChem CID57315952
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-(1,1-dimethoxyethyl)formamide
SMILESCOC(C)(NC=O)OC
InChIInChI=1S/C5H11NO3/c1-5(8-2,9-3)6-4-7/h4H,1-3H3,(H,6,7)
InChIKeyJETMXJJCFBFTIM-UHFFFAOYSA-N
XLogP-0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-formamidopropan-2-yloxy)propan-2-yl]formamide
CID 88642240
N-tert-butylformamide;ethane
CID 142078215
N-(1,1-dihydroxyethyl)formamide
CID 87394549
2,2-diformamidopropanoic acid
CID 87109916
N-(1-fluoro-2-methylpropan-2-yl)formamide
CID 14806739
N-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]formamide
CID 166659477
N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide
CID 155174619
N-(4-methylheptan-4-yl)formamide
CID 54483706
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
N-ethyl-1,1-dimethoxyethanamine
CID 20509682
N-[1-(2-amino-2-methylpropoxy)-2-methylpropan-2-yl]formamide
CID 170966497
2-formamido-N,2-dimethylpropanamide
CID 88936933

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxyethyl)formamide?
The IUPAC name of N-(1,1-dimethoxyethyl)formamide (CID 57315952) is N-(1,1-dimethoxyethyl)formamide.
What is the SMILES notation for N-(1,1-dimethoxyethyl)formamide?
The canonical SMILES for N-(1,1-dimethoxyethyl)formamide is COC(C)(NC=O)OC.
What is the InChIKey of N-(1,1-dimethoxyethyl)formamide?
The InChIKey is JETMXJJCFBFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-5(8-2,9-3)6-4-7/h4H,1-3H3,(H,6,7).
What are the key properties of N-(1,1-dimethoxyethyl)formamide?
N-(1,1-dimethoxyethyl)formamide has a molecular weight of 133.15 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxyethyl)formamide is sourced from PubChem (CID 57315952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).