2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide

C18H28N2O3 — CID 71861152

IUPAC2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide
SMILESCc1ccccc1C(CC(C)C)NC(=O)N1CCOC(CO)C1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-17(16-7-5-4-6-14(16)3)19-18(22)20-8-9-23-15(11-20)12-21/h4-7,13,15,17,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyAPIBZEUCNFKVDC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.48
Rot. Bonds5

About 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide

2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide (PubChem CID 71861152) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide
PubChem CID71861152
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide
SMILESCc1ccccc1C(CC(C)C)NC(=O)N1CCOC(CO)C1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-17(16-7-5-4-6-14(16)3)19-18(22)20-8-9-23-15(11-20)12-21/h4-7,13,15,17,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyAPIBZEUCNFKVDC-UHFFFAOYSA-N
XLogP2.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
1-(1,4-Dioxan-2-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2902662
N-[1-(3-isopropenylphenyl)-1-methylethyl]-4-morpholinecarboxamide
CID 2788460
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47027634
1-(3-Hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71976445
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75410015
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536752
(5aR,9aS)-N-benzyl-4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine-8-carboxamide
CID 97511332
2-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 172434606
N-(2-methoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 172452495

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide (CID 71861152) is 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide is Cc1ccccc1C(CC(C)C)NC(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide?
The InChIKey is APIBZEUCNFKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)10-17(16-7-5-4-6-14(16)3)19-18(22)20-8-9-23-15(11-20)12-21/h4-7,13,15,17,21H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide?
2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 71861152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).