N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide

C17H26N2O3 — CID 71992880

IUPACN-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCOC(COC)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-4-5-14-6-8-15(9-7-14)18-17(20)19-10-11-22-16(12-19)13-21-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyPCYQGPPXUJAHDJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds6

About N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide

N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71992880) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71992880
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCOC(COC)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-4-5-14-6-8-15(9-7-14)18-17(20)19-10-11-22-16(12-19)13-21-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyPCYQGPPXUJAHDJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
(3S,4S)-N-(4-hexylphenyl)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 74233887
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide (CID 71992880) is N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide is CCCCc1ccc(NC(=O)N2CCOC(COC)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is PCYQGPPXUJAHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-4-5-14-6-8-15(9-7-14)18-17(20)19-10-11-22-16(12-19)13-21-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide?
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71992880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).