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

C17H22N2O4 — CID 45197469

IUPAC1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CC2CN(C(=O)C3(C(N)=O)CC3)CCO2)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-4-2-3-12(9-13)10-14-11-19(7-8-23-14)16(21)17(5-6-17)15(18)20/h2-4,9,14H,5-8,10-11H2,1H3,(H2,18,20)
InChIKeyGUVDQXMXVNSEDK-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.73
Rot. Bonds5

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

1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 45197469) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID45197469
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CC2CN(C(=O)C3(C(N)=O)CC3)CCO2)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-4-2-3-12(9-13)10-14-11-19(7-8-23-14)16(21)17(5-6-17)15(18)20/h2-4,9,14H,5-8,10-11H2,1H3,(H2,18,20)
InChIKeyGUVDQXMXVNSEDK-UHFFFAOYSA-N
XLogP0.73
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
CID 45204776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 45197469) is 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is COc1cccc(CC2CN(C(=O)C3(C(N)=O)CC3)CCO2)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is GUVDQXMXVNSEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-13-4-2-3-12(9-13)10-14-11-19(7-8-23-14)16(21)17(5-6-17)15(18)20/h2-4,9,14H,5-8,10-11H2,1H3,(H2,18,20).
What are the key properties of 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 45197469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).