4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide

C13H18N2O4 — CID 35513931

IUPAC4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-18-8-2-7-15-13(17)10-3-5-11(6-4-10)19-9-12(14)16/h3-6H,2,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWDSIHONBPVIHPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide

4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide (PubChem CID 35513931) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
PubChem CID35513931
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-18-8-2-7-15-13(17)10-3-5-11(6-4-10)19-9-12(14)16/h3-6H,2,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWDSIHONBPVIHPX-UHFFFAOYSA-N
XLogP0.32
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
CID 24550092
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 6368334
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
2-[2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242302
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 24517297
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18272291

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide (CID 35513931) is 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide?
The InChIKey is WDSIHONBPVIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-8-2-7-15-13(17)10-3-5-11(6-4-10)19-9-12(14)16/h3-6H,2,7-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 35513931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).