N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide

C18H25NO3 — CID 110427164

IUPACN-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C18H25NO3/c1-3-7-17(20)19-15-12-14(10-11-16(15)22-2)18(21)13-8-5-4-6-9-13/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyANLGZUIIESBGOH-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.20
Rot. Bonds6

About N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide

N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide (PubChem CID 110427164) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide.

Molecular Properties

Compound NameN-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
PubChem CID110427164
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C18H25NO3/c1-3-7-17(20)19-15-12-14(10-11-16(15)22-2)18(21)13-8-5-4-6-9-13/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyANLGZUIIESBGOH-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide?
The IUPAC name of N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide (CID 110427164) is N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide.
What is the SMILES notation for N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide?
The canonical SMILES for N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide is CCCC(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC.
What is the InChIKey of N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide?
The InChIKey is ANLGZUIIESBGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-7-17(20)19-15-12-14(10-11-16(15)22-2)18(21)13-8-5-4-6-9-13/h10-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide?
N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide has a molecular weight of 303.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide is sourced from PubChem (CID 110427164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).