2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide

C20H26N2O2 — CID 54811574

IUPAC2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2OCC(C)C)cc1C
InChIInChI=1S/C20H26N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)22-20(23)12-21-17-10-9-15(3)16(4)11-17/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyCCBJBVVVRDEVQR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.39
Rot. Bonds7

About 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide

2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54811574) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
PubChem CID54811574
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2OCC(C)C)cc1C
InChIInChI=1S/C20H26N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)22-20(23)12-21-17-10-9-15(3)16(4)11-17/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyCCBJBVVVRDEVQR-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846111

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide (CID 54811574) is 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide is Cc1ccc(NCC(=O)Nc2ccccc2OCC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is CCBJBVVVRDEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)22-20(23)12-21-17-10-9-15(3)16(4)11-17/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54811574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).