4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide

C13H24N2O3 — CID 106298573

IUPAC4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H24N2O3/c14-11-3-1-10(2-4-11)12(17)15-13(9-16)5-7-18-8-6-13/h10-11,16H,1-9,14H2,(H,15,17)
InChIKeyJGKLTQZDTFPWDF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide

4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide (PubChem CID 106298573) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
PubChem CID106298573
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H24N2O3/c14-11-3-1-10(2-4-11)12(17)15-13(9-16)5-7-18-8-6-13/h10-11,16H,1-9,14H2,(H,15,17)
InChIKeyJGKLTQZDTFPWDF-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
N-[4-(bromomethyl)oxan-4-yl]-4-methylcyclohexane-1-carboxamide
CID 114171042
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide (CID 106298573) is 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NC2(CO)CCOCC2)CC1.
What is the InChIKey of 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide?
The InChIKey is JGKLTQZDTFPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-11-3-1-10(2-4-11)12(17)15-13(9-16)5-7-18-8-6-13/h10-11,16H,1-9,14H2,(H,15,17).
What are the key properties of 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide?
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106298573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).