N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide

C23H25NO3 — CID 97072110

IUPACN-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2ccco2)c1
InChIInChI=1S/C23H25NO3/c1-18-7-5-10-20(15-18)22(25)17-24(16-19-8-3-2-4-9-19)23(26)13-12-21-11-6-14-27-21/h2-11,14-15,22,25H,12-13,16-17H2,1H3/t22-/m1/s1
InChIKeyBWRGMUSZHJFZEE-JOCHJYFZSA-N
MW363.46 g/mol
LogP4.28
Rot. Bonds8

About N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide

N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide (PubChem CID 97072110) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
PubChem CID97072110
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2ccco2)c1
InChIInChI=1S/C23H25NO3/c1-18-7-5-10-20(15-18)22(25)17-24(16-19-8-3-2-4-9-19)23(26)13-12-21-11-6-14-27-21/h2-11,14-15,22,25H,12-13,16-17H2,1H3/t22-/m1/s1
InChIKeyBWRGMUSZHJFZEE-JOCHJYFZSA-N
XLogP4.28
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120705127
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-hydroxy-2-(3-methylphenyl)ethyl]guanidine
CID 110050472
N-benzyl-6-(cyclopropylamino)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 97072122
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide
CID 16549670
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide (CID 97072110) is N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide is Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2ccco2)c1.
What is the InChIKey of N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is BWRGMUSZHJFZEE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-18-7-5-10-20(15-18)22(25)17-24(16-19-8-3-2-4-9-19)23(26)13-12-21-11-6-14-27-21/h2-11,14-15,22,25H,12-13,16-17H2,1H3/t22-/m1/s1.
What are the key properties of N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide?
N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 97072110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).