N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C23H26N2O4 — CID 8755542

IUPACN-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-27-19-13-12-18(15-21(19)28-4-2)25-22(26)16-24-23(20-11-8-14-29-20)17-9-6-5-7-10-17/h5-15,23-24H,3-4,16H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyRFXPDPMVVOEGPQ-QHCPKHFHSA-N
MW394.47 g/mol
LogP4.39
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8755542) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8755542
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-27-19-13-12-18(15-21(19)28-4-2)25-22(26)16-24-23(20-11-8-14-29-20)17-9-6-5-7-10-17/h5-15,23-24H,3-4,16H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyRFXPDPMVVOEGPQ-QHCPKHFHSA-N
XLogP4.39
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537379
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
2-(benzhydrylamino)-N-(2,5-diethoxyphenyl)acetamide
CID 24565254
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)acetamide
CID 8755106
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-(2-benzylphenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755114
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8755542) is N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is RFXPDPMVVOEGPQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-27-19-13-12-18(15-21(19)28-4-2)25-22(26)16-24-23(20-11-8-14-29-20)17-9-6-5-7-10-17/h5-15,23-24H,3-4,16H2,1-2H3,(H,25,26)/t23-/m0/s1.
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 394.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8755542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).