N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

C27H29NO5 — CID 26433371

IUPACN-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC
InChIInChI=1S/C27H29NO5/c1-17(13-18-9-11-23-21(14-18)20-7-5-6-8-22(20)33-23)28-26(29)12-10-19-15-24(30-2)27(32-4)25(16-19)31-3/h5-9,11,14-17H,10,12-13H2,1-4H3,(H,28,29)/t17-/m1/s1
InChIKeyCWYCDSKXRNDTII-QGZVFWFLSA-N
MW447.53 g/mol
LogP5.29
Rot. Bonds9

About N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 26433371) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID26433371
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC NameN-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC
InChIInChI=1S/C27H29NO5/c1-17(13-18-9-11-23-21(14-18)20-7-5-6-8-22(20)33-23)28-26(29)12-10-19-15-24(30-2)27(32-4)25(16-19)31-3/h5-9,11,14-17H,10,12-13H2,1-4H3,(H,28,29)/t17-/m1/s1
InChIKeyCWYCDSKXRNDTII-QGZVFWFLSA-N
XLogP5.29
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
2-(2-methylpropyl)dibenzofuran
CID 59877560
(2S)-3-dibenzofuran-3-yl-2-[[(1S)-1-dimethoxyphosphoryl-3-(3,4,5-trimethoxyphenyl)propyl]amino]propanoic acid
CID 10745655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 26433371) is N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC.
What is the InChIKey of N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is CWYCDSKXRNDTII-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H29NO5/c1-17(13-18-9-11-23-21(14-18)20-7-5-6-8-22(20)33-23)28-26(29)12-10-19-15-24(30-2)27(32-4)25(16-19)31-3/h5-9,11,14-17H,10,12-13H2,1-4H3,(H,28,29)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 447.53 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-dibenzofuran-2-ylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 26433371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).