2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide

C19H29N3O3 — CID 55437224

IUPAC2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(NC(C)=O)ccc1OC)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-4-22(16-8-6-5-7-9-16)19(24)13-20-17-12-15(21-14(2)23)10-11-18(17)25-3/h10-12,16,20H,4-9,13H2,1-3H3,(H,21,23)
InChIKeyJZQNNSMNDZCOCH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds7

About 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide

2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide (PubChem CID 55437224) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
PubChem CID55437224
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(NC(C)=O)ccc1OC)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-4-22(16-8-6-5-7-9-16)19(24)13-20-17-12-15(21-14(2)23)10-11-18(17)25-3/h10-12,16,20H,4-9,13H2,1-3H3,(H,21,23)
InChIKeyJZQNNSMNDZCOCH-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide
CID 24583313
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
CID 55893747
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
N-[4-methoxy-3-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63740553
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide (CID 55437224) is 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CNc1cc(NC(C)=O)ccc1OC)C1CCCCC1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide?
The InChIKey is JZQNNSMNDZCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-22(16-8-6-5-7-9-16)19(24)13-20-17-12-15(21-14(2)23)10-11-18(17)25-3/h10-12,16,20H,4-9,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide?
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide has a molecular weight of 347.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 55437224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).