2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C18H25N3O4 — CID 7203614

IUPAC2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H25N3O4/c1-12-5-3-4-6-16(12)20-18(24)21-17(23)11-25-15-9-7-14(8-10-15)19-13(2)22/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)(H2,20,21,23,24)/t12-,16+/m0/s1
InChIKeyANXGNEVYPCNSSA-BLLLJJGKSA-N
MW347.42 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 7203614) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID7203614
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H25N3O4/c1-12-5-3-4-6-16(12)20-18(24)21-17(23)11-25-15-9-7-14(8-10-15)19-13(2)22/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)(H2,20,21,23,24)/t12-,16+/m0/s1
InChIKeyANXGNEVYPCNSSA-BLLLJJGKSA-N
XLogP2.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9253004
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 41249140
2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 7203614) is 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is CC(=O)Nc1ccc(OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is ANXGNEVYPCNSSA-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-5-3-4-6-16(12)20-18(24)21-17(23)11-25-15-9-7-14(8-10-15)19-13(2)22/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)(H2,20,21,23,24)/t12-,16+/m0/s1.
What are the key properties of 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 7203614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).