4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide

C24H31NO4 — CID 42648874

IUPAC4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H31NO4/c1-18(9-10-19-7-5-4-6-8-19)25-23(26)24(13-15-29-16-14-24)20-11-12-21(27-2)22(17-20)28-3/h4-8,11-12,17-18H,9-10,13-16H2,1-3H3,(H,25,26)
InChIKeyOEJXXJQMKRMWLF-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.89
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide

4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide (PubChem CID 42648874) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
PubChem CID42648874
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H31NO4/c1-18(9-10-19-7-5-4-6-8-19)25-23(26)24(13-15-29-16-14-24)20-11-12-21(27-2)22(17-20)28-3/h4-8,11-12,17-18H,9-10,13-16H2,1-3H3,(H,25,26)
InChIKeyOEJXXJQMKRMWLF-UHFFFAOYSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
CID 100789169
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide (CID 42648874) is 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide is COc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The InChIKey is OEJXXJQMKRMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-18(9-10-19-7-5-4-6-8-19)25-23(26)24(13-15-29-16-14-24)20-11-12-21(27-2)22(17-20)28-3/h4-8,11-12,17-18H,9-10,13-16H2,1-3H3,(H,25,26).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 42648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).