N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide

C21H25NO3 — CID 133202792

IUPACN-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-16(18-10-6-7-11-19(18)24-2)22-20(23)21(12-14-25-15-13-21)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)
InChIKeyYFEIJBLPMIYYOX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 133202792) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID133202792
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-16(18-10-6-7-11-19(18)24-2)22-20(23)21(12-14-25-15-13-21)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)
InChIKeyYFEIJBLPMIYYOX-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91640345

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide (CID 133202792) is N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide is COc1ccccc1C(C)NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is YFEIJBLPMIYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(18-10-6-7-11-19(18)24-2)22-20(23)21(12-14-25-15-13-21)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 133202792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).