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

C15H28N2O3 — CID 103966758

IUPAC4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-2-16-13-9-20-8-12(13)14(19)17-10-15(11-18)6-4-3-5-7-15/h12-13,16,18H,2-11H2,1H3,(H,17,19)
InChIKeyHWEJVMAFBKDKIO-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.67
Rot. Bonds6

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

4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide (PubChem CID 103966758) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
PubChem CID103966758
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-2-16-13-9-20-8-12(13)14(19)17-10-15(11-18)6-4-3-5-7-15/h12-13,16,18H,2-11H2,1H3,(H,17,19)
InChIKeyHWEJVMAFBKDKIO-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
CID 114143542
4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 106101684
2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161098
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
CID 66257360
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
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-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide
CID 83112481
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide (CID 103966758) is 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The InChIKey is HWEJVMAFBKDKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-16-13-9-20-8-12(13)14(19)17-10-15(11-18)6-4-3-5-7-15/h12-13,16,18H,2-11H2,1H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.67, 6 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)cyclohexyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 103966758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).