4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide

C15H28N2O3 — CID 66257360

IUPAC4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H28N2O3/c1-3-16-13-9-20-8-12(13)14(19)17-15(10-18)6-4-5-11(2)7-15/h11-13,16,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyNWGDBEXSOLGSLY-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.67
Rot. Bonds5

About 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide

4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide (PubChem CID 66257360) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
PubChem CID66257360
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H28N2O3/c1-3-16-13-9-20-8-12(13)14(19)17-15(10-18)6-4-5-11(2)7-15/h11-13,16,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyNWGDBEXSOLGSLY-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide
CID 66255792
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259609
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 66257764
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
CID 62553193
N-[(1R)-1-cyclopentylethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 81391586
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421
4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 106101684
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide (CID 66257360) is 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The InChIKey is NWGDBEXSOLGSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-16-13-9-20-8-12(13)14(19)17-15(10-18)6-4-5-11(2)7-15/h11-13,16,18H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 66257360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).