4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide

C14H28N2O3 — CID 106255289

IUPAC4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H28N2O3/c1-4-14(5-2,10-17)9-16-13(18)11-7-19-8-12(11)15-6-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyKYIAFFDOKDXRIZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.53
Rot. Bonds8

About 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide

4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide (PubChem CID 106255289) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
PubChem CID106255289
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H28N2O3/c1-4-14(5-2,10-17)9-16-13(18)11-7-19-8-12(11)15-6-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyKYIAFFDOKDXRIZ-UHFFFAOYSA-N
XLogP0.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide (CID 106255289) is 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC(CC)(CC)CO.
What is the InChIKey of 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide?
The InChIKey is KYIAFFDOKDXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-14(5-2,10-17)9-16-13(18)11-7-19-8-12(11)15-6-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide is sourced from PubChem (CID 106255289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).