4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide

C23H29NO3 — CID 110082574

IUPAC4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1
InChIInChI=1S/C23H29NO3/c1-3-14-24-22(25)23(12-15-27-16-13-23)17-18-8-10-19(11-9-18)20-6-4-5-7-21(20)26-2/h4-11H,3,12-17H2,1-2H3,(H,24,25)
InChIKeyTVCNNIDALGETCQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.23
Rot. Bonds7

About 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide (PubChem CID 110082574) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
PubChem CID110082574
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1
InChIInChI=1S/C23H29NO3/c1-3-14-24-22(25)23(12-15-27-16-13-23)17-18-8-10-19(11-9-18)20-6-4-5-7-21(20)26-2/h4-11H,3,12-17H2,1-2H3,(H,24,25)
InChIKeyTVCNNIDALGETCQ-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
CID 110082576
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
CID 129455548
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 155982714
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 132779272
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974447

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide?
The IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide (CID 110082574) is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide is CCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide?
The InChIKey is TVCNNIDALGETCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-14-24-22(25)23(12-15-27-16-13-23)17-18-8-10-19(11-9-18)20-6-4-5-7-21(20)26-2/h4-11H,3,12-17H2,1-2H3,(H,24,25).
What are the key properties of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide?
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide is sourced from PubChem (CID 110082574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).