4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide

C12H22N2O4 — CID 114143542

IUPAC4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O4/c1-2-13-10-6-18-5-9(10)11(15)14-7-12(16)3-4-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyUSEFPIKXVXYEGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.12
Rot. Bonds5

About 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide

4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 114143542) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
PubChem CID114143542
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O4/c1-2-13-10-6-18-5-9(10)11(15)14-7-12(16)3-4-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyUSEFPIKXVXYEGW-UHFFFAOYSA-N
XLogP-1.12
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 106101684
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106099745
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
CID 107389554
4-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
CID 66257352
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101531
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide (CID 114143542) is 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is USEFPIKXVXYEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-13-10-6-18-5-9(10)11(15)14-7-12(16)3-4-17-8-12/h9-10,13,16H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -1.12, 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-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 114143542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).