1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

C19H24N2O5 — CID 3694705

IUPAC1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1C
InChIInChI=1S/C19H24N2O5/c1-12-9-14(3-4-16(12)13(2)22)26-11-15-10-21(7-8-25-15)18(24)19(5-6-19)17(20)23/h3-4,9,15H,5-8,10-11H2,1-2H3,(H2,20,23)
InChIKeyLLEGLABSAKWALY-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 3694705) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID3694705
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1C
InChIInChI=1S/C19H24N2O5/c1-12-9-14(3-4-16(12)13(2)22)26-11-15-10-21(7-8-25-15)18(24)19(5-6-19)17(20)23/h3-4,9,15H,5-8,10-11H2,1-2H3,(H2,20,23)
InChIKeyLLEGLABSAKWALY-UHFFFAOYSA-N
XLogP1.07
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3601027
methyl (2S)-2-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74225686
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-fluoren-9-ylideneethanone
CID 3790394
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3854939
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-phenoxyethylsulfanyl)ethanone
CID 3740231
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3559114
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
(1S,4R)-1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 74228119
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 3694705) is 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is CC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1C.
What is the InChIKey of 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is LLEGLABSAKWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-9-14(3-4-16(12)13(2)22)26-11-15-10-21(7-8-25-15)18(24)19(5-6-19)17(20)23/h3-4,9,15H,5-8,10-11H2,1-2H3,(H2,20,23).
What are the key properties of 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 3694705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).