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

C20H24N2O3 — CID 54814177

IUPAC2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)21-13-20(23)22-18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,22,23)
InChIKeyAXDGQEWEGLWNDG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.60
Rot. Bonds7

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

2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54814177) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54814177
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)21-13-20(23)22-18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,22,23)
InChIKeyAXDGQEWEGLWNDG-UHFFFAOYSA-N
XLogP3.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54824246
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
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
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-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54814177) is 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is Cc1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is AXDGQEWEGLWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)21-13-20(23)22-18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,22,23).
What are the key properties of 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54814177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).