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

C22H27N3O4 — CID 54821366

IUPACN-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-5-7-18(8-6-16)25-21(26)14-24-17-9-11-19(12-10-17)29-15-20-4-3-13-28-20/h5-12,20,24H,2-4,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyKGTGEJUXKYSVHI-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.04
Rot. Bonds9

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

N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54821366) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54821366
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-5-7-18(8-6-16)25-21(26)14-24-17-9-11-19(12-10-17)29-15-20-4-3-13-28-20/h5-12,20,24H,2-4,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyKGTGEJUXKYSVHI-UHFFFAOYSA-N
XLogP3.04
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.04
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

4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54821366) is N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is KGTGEJUXKYSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-23-22(27)16-5-7-18(8-6-16)25-21(26)14-24-17-9-11-19(12-10-17)29-15-20-4-3-13-28-20/h5-12,20,24H,2-4,13-15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54821366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).