N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide

C25H31NO3 — CID 86941870

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H31NO3/c27-24(25(14-16-28-17-15-25)21-9-3-1-4-10-21)26-19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1,3-4,7-10,13,18,22H,2,5-6,11-12,14-17,19H2,(H,26,27)
InChIKeySGLQKYONXBCMPY-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.76
Rot. Bonds6

About N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide

N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide (PubChem CID 86941870) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
PubChem CID86941870
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H31NO3/c27-24(25(14-16-28-17-15-25)21-9-3-1-4-10-21)26-19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1,3-4,7-10,13,18,22H,2,5-6,11-12,14-17,19H2,(H,26,27)
InChIKeySGLQKYONXBCMPY-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide (CID 86941870) is N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide is O=C(NCc1cccc(OC2CCCCC2)c1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is SGLQKYONXBCMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c27-24(25(14-16-28-17-15-25)21-9-3-1-4-10-21)26-19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1,3-4,7-10,13,18,22H,2,5-6,11-12,14-17,19H2,(H,26,27).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide?
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 86941870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).