3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C21H25N3O4 — CID 54812361

IUPAC3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-9-7-16(8-10-18)22-14-20(25)24-17-5-2-4-15(12-17)21(26)23-13-19-6-3-11-28-19/h2,4-5,7-10,12,19,22H,3,6,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUOAYOLDNGFOKKG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.65
Rot. Bonds8

About 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54812361) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54812361
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-9-7-16(8-10-18)22-14-20(25)24-17-5-2-4-15(12-17)21(26)23-13-19-6-3-11-28-19/h2,4-5,7-10,12,19,22H,3,6,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUOAYOLDNGFOKKG-UHFFFAOYSA-N
XLogP2.65
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813901
3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54824689
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54821908
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54836976

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54812361) is 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UOAYOLDNGFOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-9-7-16(8-10-18)22-14-20(25)24-17-5-2-4-15(12-17)21(26)23-13-19-6-3-11-28-19/h2,4-5,7-10,12,19,22H,3,6,11,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).