4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C18H27N3O3 — CID 17479762

IUPAC4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)11-21-8-9-24-17(12-21)10-19-18(23)15-4-6-16(7-5-15)20-14(3)22/h4-7,13,17H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyJWVSEFJXJICGFJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.73
Rot. Bonds6

About 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 17479762) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID17479762
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)11-21-8-9-24-17(12-21)10-19-18(23)15-4-6-16(7-5-15)20-14(3)22/h4-7,13,17H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyJWVSEFJXJICGFJ-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
CID 9268036
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-ethyl-4-[[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111369860

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 17479762) is 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCC2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is JWVSEFJXJICGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)11-21-8-9-24-17(12-21)10-19-18(23)15-4-6-16(7-5-15)20-14(3)22/h4-7,13,17H,8-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 17479762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).