4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide

C23H29NO3 — CID 4250680

IUPAC4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-18(8-9-19-6-4-3-5-7-19)24-22(25)23(14-16-27-17-15-23)20-10-12-21(26-2)13-11-20/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,24,25)
InChIKeyRTTIADAELZDHCN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.88
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide

4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide (PubChem CID 4250680) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
PubChem CID4250680
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-18(8-9-19-6-4-3-5-7-19)24-22(25)23(14-16-27-17-15-23)20-10-12-21(26-2)13-11-20/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,24,25)
InChIKeyRTTIADAELZDHCN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
CID 100789169
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
CID 92613867
4-(4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
CID 46977486
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 86207187
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide (CID 4250680) is 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide is COc1ccc(C2(C(=O)NC(C)CCc3ccccc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
The InChIKey is RTTIADAELZDHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18(8-9-19-6-4-3-5-7-19)24-22(25)23(14-16-27-17-15-23)20-10-12-21(26-2)13-11-20/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 4250680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).