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

C16H30N2O3 — CID 66255792

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-7-17-14-10-21-9-13(14)15(20)18-16(11-19)6-4-5-12(2)8-16/h12-14,17,19H,3-11H2,1-2H3,(H,18,20)
InChIKeyHLTHSUWMKYJTKA-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.06
Rot. Bonds6

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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255792) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255792
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-7-17-14-10-21-9-13(14)15(20)18-16(11-19)6-4-5-12(2)8-16/h12-14,17,19H,3-11H2,1-2H3,(H,18,20)
InChIKeyHLTHSUWMKYJTKA-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide (CID 66255792) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is HLTHSUWMKYJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-7-17-14-10-21-9-13(14)15(20)18-16(11-19)6-4-5-12(2)8-16/h12-14,17,19H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).