N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

C18H27N3O4 — CID 108510277

IUPACN'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-14(15-4-6-16(24-2)7-5-15)20-18(23)17(22)19-8-3-9-21-10-12-25-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJBMZBSZWSFVETB-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.71
Rot. Bonds7

About N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108510277) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108510277
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-14(15-4-6-16(24-2)7-5-15)20-18(23)17(22)19-8-3-9-21-10-12-25-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJBMZBSZWSFVETB-UHFFFAOYSA-N
XLogP0.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea
CID 126452003
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 108510277) is N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is JBMZBSZWSFVETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14(15-4-6-16(24-2)7-5-15)20-18(23)17(22)19-8-3-9-21-10-12-25-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 349.43 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108510277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).