4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide

C13H24N2O3 — CID 66236709

IUPAC4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCC1CCCCC1CO
InChIInChI=1S/C13H24N2O3/c14-12-8-18-7-11(12)13(17)15-5-9-3-1-2-4-10(9)6-16/h9-12,16H,1-8,14H2,(H,15,17)
InChIKeyTVEIXRQKNPZNSZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.12
Rot. Bonds4

About 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide

4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide (PubChem CID 66236709) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
PubChem CID66236709
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCC1CCCCC1CO
InChIInChI=1S/C13H24N2O3/c14-12-8-18-7-11(12)13(17)15-5-9-3-1-2-4-10(9)6-16/h9-12,16H,1-8,14H2,(H,15,17)
InChIKeyTVEIXRQKNPZNSZ-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide (CID 66236709) is 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCC1CCCCC1CO.
What is the InChIKey of 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
The InChIKey is TVEIXRQKNPZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-12-8-18-7-11(12)13(17)15-5-9-3-1-2-4-10(9)6-16/h9-12,16H,1-8,14H2,(H,15,17).
What are the key properties of 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide?
4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).