N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide

C15H28N2O2 — CID 79122716

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)C2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-16-13-4-6-14(7-5-13)17(2)15(18)12-8-10-19-11-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUSZWNEAFJOVWBG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide

N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide (PubChem CID 79122716) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
PubChem CID79122716
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)C2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-16-13-4-6-14(7-5-13)17(2)15(18)12-8-10-19-11-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUSZWNEAFJOVWBG-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
N-[4-(ethylamino)cyclohexyl]-N-methylcyclopropanecarboxamide
CID 79122712
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide
CID 127433131
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
CID 79116727
N,2,5-trimethyl-N-[4-(propylamino)cyclohexyl]furan-3-carboxamide
CID 79116538
N-propyloxan-4-amine
CID 18348908

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide (CID 79122716) is N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide is CCCNC1CCC(N(C)C(=O)C2CCOC2)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is USZWNEAFJOVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-16-13-4-6-14(7-5-13)17(2)15(18)12-8-10-19-11-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide?
N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 79122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).