N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

C25H29NO5 — CID 1306729

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1OC
InChIInChI=1S/C25H29NO5/c1-18(27)26(17-19-11-12-24(29-3)25(16-19)30-4)14-13-21(23-10-7-15-31-23)20-8-5-6-9-22(20)28-2/h5-12,15-16,21H,13-14,17H2,1-4H3/t21-/m1/s1
InChIKeyQPOWWZXKTJOZBE-OAQYLSRUSA-N
MW423.51 g/mol
LogP4.88
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide (PubChem CID 1306729) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
PubChem CID1306729
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1OC
InChIInChI=1S/C25H29NO5/c1-18(27)26(17-19-11-12-24(29-3)25(16-19)30-4)14-13-21(23-10-7-15-31-23)20-8-5-6-9-22(20)28-2/h5-12,15-16,21H,13-14,17H2,1-4H3/t21-/m1/s1
InChIKeyQPOWWZXKTJOZBE-OAQYLSRUSA-N
XLogP4.88
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]acetamide
CID 1119831
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 1071993
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113056311
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]furan-2-carboxamide
CID 41273641
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide (CID 1306729) is N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide is COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide?
The InChIKey is QPOWWZXKTJOZBE-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29NO5/c1-18(27)26(17-19-11-12-24(29-3)25(16-19)30-4)14-13-21(23-10-7-15-31-23)20-8-5-6-9-22(20)28-2/h5-12,15-16,21H,13-14,17H2,1-4H3/t21-/m1/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 1306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).