N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide

C16H24N2O2 — CID 23881732

IUPACN-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(19)18-8-10-20-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyJOFZVBXBTSFZOS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.20
Rot. Bonds4

About N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide

N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide (PubChem CID 23881732) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
PubChem CID23881732
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(19)18-8-10-20-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyJOFZVBXBTSFZOS-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butyl-2-methylphenyl)morpholine-4-carbothioamide
CID 3869336
N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
CID 23964750
N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696602
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(4-hydroxy-2-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
CID 108509448
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802
N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
CID 106911473
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide (CID 23881732) is N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide is CCCCc1ccc(NC(=O)N2CCOCC2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide?
The InChIKey is JOFZVBXBTSFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-14-6-7-15(13(2)12-14)17-16(19)18-8-10-20-11-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide?
N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 23881732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).