N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C18H25NO3 — CID 2620861

IUPACN-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13-8-10-17(22-2)15(12-13)16(20)9-11-18(21)19-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,21)
InChIKeyIEILMFNYMYXDPY-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.42
Rot. Bonds6

About N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 2620861) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID2620861
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13-8-10-17(22-2)15(12-13)16(20)9-11-18(21)19-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,21)
InChIKeyIEILMFNYMYXDPY-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 503142
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 2620861) is N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is IEILMFNYMYXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-8-10-17(22-2)15(12-13)16(20)9-11-18(21)19-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 303.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2620861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).