methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate

C18H24N2O4 — CID 166318550

IUPACmethyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccc(N2CC3CCC(C2)O3)cc1
InChIInChI=1S/C18H24N2O4/c1-23-17(21)3-2-10-19-18(22)13-4-6-14(7-5-13)20-11-15-8-9-16(12-20)24-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyOOUAUIUOEVHRFR-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.74
Rot. Bonds6

About methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate

methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate (PubChem CID 166318550) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate
PubChem CID166318550
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccc(N2CC3CCC(C2)O3)cc1
InChIInChI=1S/C18H24N2O4/c1-23-17(21)3-2-10-19-18(22)13-4-6-14(7-5-13)20-11-15-8-9-16(12-20)24-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyOOUAUIUOEVHRFR-UHFFFAOYSA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate with MolForge

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Related Compounds

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)benzamide
CID 167911836
methyl 4-benzamidobutanoate
CID 13197711
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate;dihydrochloride
CID 19391280
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
methyl 6-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221041
methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221043
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate?
The IUPAC name of methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate (CID 166318550) is methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate is COC(=O)CCCNC(=O)c1ccc(N2CC3CCC(C2)O3)cc1.
What is the InChIKey of methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate?
The InChIKey is OOUAUIUOEVHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-17(21)3-2-10-19-18(22)13-4-6-14(7-5-13)20-11-15-8-9-16(12-20)24-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22).
What are the key properties of methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate?
methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate has a molecular weight of 332.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]butanoate is sourced from PubChem (CID 166318550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).