4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide

C11H21N3O3 — CID 66240251

IUPAC4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1COCC1N
InChIInChI=1S/C11H21N3O3/c1-3-13-10(15)5-14(4-2)11(16)8-6-17-7-9(8)12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyHOTRGPDNDJFQSJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.06
Rot. Bonds5

About 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide

4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide (PubChem CID 66240251) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide
PubChem CID66240251
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1COCC1N
InChIInChI=1S/C11H21N3O3/c1-3-13-10(15)5-14(4-2)11(16)8-6-17-7-9(8)12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyHOTRGPDNDJFQSJ-UHFFFAOYSA-N
XLogP-1.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
CID 66237461
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726667
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 66240452
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide (CID 66240251) is 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide is CCNC(=O)CN(CC)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide?
The InChIKey is HOTRGPDNDJFQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-13-10(15)5-14(4-2)11(16)8-6-17-7-9(8)12/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide?
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).