ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate

C12H26N2O3 — CID 143973901

IUPACethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCC.CCN(C(=O)OCCO)C1CCN(C)C1
InChIInChI=1S/C10H20N2O3.C2H6/c1-3-12(10(14)15-7-6-13)9-4-5-11(2)8-9;1-2/h9,13H,3-8H2,1-2H3;1-2H3
InChIKeyCDUUXSMYQJEGPW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.17
Rot. Bonds4

About ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate

ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate (PubChem CID 143973901) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nameethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
PubChem CID143973901
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nameethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCC.CCN(C(=O)OCCO)C1CCN(C)C1
InChIInChI=1S/C10H20N2O3.C2H6/c1-3-12(10(14)15-7-6-13)9-4-5-11(2)8-9;1-2/h9,13H,3-8H2,1-2H3;1-2H3
InChIKeyCDUUXSMYQJEGPW-UHFFFAOYSA-N
XLogP1.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-hydroxyethyl N-cyclopropyl-N-propylcarbamate
CID 79346146
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308
N-ethyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]acetamide
CID 66567335
[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate
CID 143375003
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
2-hydroxyethyl N-(1,3-dimethylpiperidin-4-yl)carbamate
CID 114506096
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
CID 66567411
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate (CID 143973901) is ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate is CC.CCN(C(=O)OCCO)C1CCN(C)C1.
What is the InChIKey of ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The InChIKey is CDUUXSMYQJEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C2H6/c1-3-12(10(14)15-7-6-13)9-4-5-11(2)8-9;1-2/h9,13H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate?
ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 143973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).