N-(1,2-dihydroxyethyl)-N-ethylformamide

C5H11NO3 — CID 23116134

IUPACN-(1,2-dihydroxyethyl)-N-ethylformamide
SMILESCCN(C=O)C(O)CO
InChIInChI=1S/C5H11NO3/c1-2-6(4-8)5(9)3-7/h4-5,7,9H,2-3H2,1H3
InChIKeyLSLJXXPZYQKCEZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.22
Rot. Bonds4

About N-(1,2-dihydroxyethyl)-N-ethylformamide

N-(1,2-dihydroxyethyl)-N-ethylformamide (PubChem CID 23116134) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(1,2-dihydroxyethyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(1,2-dihydroxyethyl)-N-ethylformamide
PubChem CID23116134
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-(1,2-dihydroxyethyl)-N-ethylformamide
SMILESCCN(C=O)C(O)CO
InChIInChI=1S/C5H11NO3/c1-2-6(4-8)5(9)3-7/h4-5,7,9H,2-3H2,1H3
InChIKeyLSLJXXPZYQKCEZ-UHFFFAOYSA-N
XLogP-1.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
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-but-3-en-2-yl-N-ethylformamide
CID 19012660
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
CID 156566585
N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide
CID 144517305
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
2-[ethyl(formyl)amino]-4-methylsulfanylbutanoic acid
CID 63688882
oxaldehyde;propane-1,2-diol
CID 87878594
ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 88521604
ethanethiol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 87528291
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroxyethyl)-N-ethylformamide?
The IUPAC name of N-(1,2-dihydroxyethyl)-N-ethylformamide (CID 23116134) is N-(1,2-dihydroxyethyl)-N-ethylformamide.
What is the SMILES notation for N-(1,2-dihydroxyethyl)-N-ethylformamide?
The canonical SMILES for N-(1,2-dihydroxyethyl)-N-ethylformamide is CCN(C=O)C(O)CO.
What is the InChIKey of N-(1,2-dihydroxyethyl)-N-ethylformamide?
The InChIKey is LSLJXXPZYQKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-6(4-8)5(9)3-7/h4-5,7,9H,2-3H2,1H3.
What are the key properties of N-(1,2-dihydroxyethyl)-N-ethylformamide?
N-(1,2-dihydroxyethyl)-N-ethylformamide has a molecular weight of 133.15 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroxyethyl)-N-ethylformamide is sourced from PubChem (CID 23116134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).