2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C21H25N3O4 — CID 54809220

IUPAC2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C21H25N3O4/c1-15(25)23-17-10-8-16(9-11-17)22-13-21(26)24-19-6-2-3-7-20(19)28-14-18-5-4-12-27-18/h2-3,6-11,18,22H,4-5,12-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMGMWCSHMKBXJIU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.25
Rot. Bonds8

About 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54809220) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54809220
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C21H25N3O4/c1-15(25)23-17-10-8-16(9-11-17)22-13-21(26)24-19-6-2-3-7-20(19)28-14-18-5-4-12-27-18/h2-3,6-11,18,22H,4-5,12-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMGMWCSHMKBXJIU-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54824246
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54831866
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54809220) is 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is MGMWCSHMKBXJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(25)23-17-10-8-16(9-11-17)22-13-21(26)24-19-6-2-3-7-20(19)28-14-18-5-4-12-27-18/h2-3,6-11,18,22H,4-5,12-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54809220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).