N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

C24H31N3O5 — CID 54842734

IUPACN-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O5/c1-30-12-5-11-25-24(29)18-6-2-7-19(14-18)26-16-23(28)27-20-8-3-9-21(15-20)32-17-22-10-4-13-31-22/h2-3,6-9,14-15,22,26H,4-5,10-13,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyQLGHJSKLMGJXNU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.06
Rot. Bonds12

About N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54842734) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54842734
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O5/c1-30-12-5-11-25-24(29)18-6-2-7-19(14-18)26-16-23(28)27-20-8-3-9-21(15-20)32-17-22-10-4-13-31-22/h2-3,6-9,14-15,22,26H,4-5,10-13,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyQLGHJSKLMGJXNU-UHFFFAOYSA-N
XLogP3.06
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821463
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828719
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594
N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815502
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54842734) is N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is COCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is QLGHJSKLMGJXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-12-5-11-25-24(29)18-6-2-7-19(14-18)26-16-23(28)27-20-8-3-9-21(15-20)32-17-22-10-4-13-31-22/h2-3,6-9,14-15,22,26H,4-5,10-13,16-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54842734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).