N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

C24H31N3O4 — CID 54828719

IUPACN-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C24H31N3O4/c1-2-3-13-25-24(29)18-9-11-19(12-10-18)27-23(28)16-26-20-6-4-7-21(15-20)31-17-22-8-5-14-30-22/h4,6-7,9-12,15,22,26H,2-3,5,8,13-14,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyOSYUULNRTWXRII-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.82
Rot. Bonds11

About N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54828719) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54828719
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C24H31N3O4/c1-2-3-13-25-24(29)18-9-11-19(12-10-18)27-23(28)16-26-20-6-4-7-21(15-20)31-17-22-8-5-14-30-22/h4,6-7,9-12,15,22,26H,2-3,5,8,13-14,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyOSYUULNRTWXRII-UHFFFAOYSA-N
XLogP3.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821463
N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54828719) is N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is OSYUULNRTWXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-2-3-13-25-24(29)18-9-11-19(12-10-18)27-23(28)16-26-20-6-4-7-21(15-20)31-17-22-8-5-14-30-22/h4,6-7,9-12,15,22,26H,2-3,5,8,13-14,16-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.82, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54828719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).