4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide

C13H24N2O4 — CID 106101684

IUPAC4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H24N2O4/c1-3-14-11-7-18-6-10(11)12(16)15-8-13(17)4-5-19-9(13)2/h9-11,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyQJCCBKBHSORXMI-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.73
Rot. Bonds5

About 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide

4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 106101684) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
PubChem CID106101684
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H24N2O4/c1-3-14-11-7-18-6-10(11)12(16)15-8-13(17)4-5-19-9(13)2/h9-11,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyQJCCBKBHSORXMI-UHFFFAOYSA-N
XLogP-0.73
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
CID 114143542
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 114143734
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide (CID 106101684) is 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC1(O)CCOC1C.
What is the InChIKey of 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is QJCCBKBHSORXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-14-11-7-18-6-10(11)12(16)15-8-13(17)4-5-19-9(13)2/h9-11,14,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106101684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).