N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide

C18H28N2O2 — CID 4801976

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-15(16-7-5-4-6-8-16)13-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyDOWXTJTUCAJQJD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.41
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide

N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide (PubChem CID 4801976) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
PubChem CID4801976
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-15(16-7-5-4-6-8-16)13-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyDOWXTJTUCAJQJD-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
(1R)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-phenylethanol
CID 2115118
N-(2-methyl-2-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 51173133

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide (CID 4801976) is N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide is CC(CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide?
The InChIKey is DOWXTJTUCAJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(16-7-5-4-6-8-16)13-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-8,15H,9-14H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide is sourced from PubChem (CID 4801976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).