N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C25H30N2O4 — CID 55360891

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)CC3CCCO3)coc2c1
InChIInChI=1S/C25H30N2O4/c1-26(2)20-8-6-18(7-9-20)15-27(16-22-5-4-12-30-22)25(28)13-19-17-31-24-14-21(29-3)10-11-23(19)24/h6-11,14,17,22H,4-5,12-13,15-16H2,1-3H3
InChIKeyLFPVXOPTJZDCER-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.26
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55360891) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID55360891
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)CC3CCCO3)coc2c1
InChIInChI=1S/C25H30N2O4/c1-26(2)20-8-6-18(7-9-20)15-27(16-22-5-4-12-30-22)25(28)13-19-17-31-24-14-21(29-3)10-11-23(19)24/h6-11,14,17,22H,4-5,12-13,15-16H2,1-3H3
InChIKeyLFPVXOPTJZDCER-UHFFFAOYSA-N
XLogP4.26
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136772350
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 35526797
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 35526794
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40639553
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
(E)-3-(3,5-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 55413085
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55445900
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51177762
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95283628
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
CID 40639547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55360891) is N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide is COc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)CC3CCCO3)coc2c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LFPVXOPTJZDCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-26(2)20-8-6-18(7-9-20)15-27(16-22-5-4-12-30-22)25(28)13-19-17-31-24-14-21(29-3)10-11-23(19)24/h6-11,14,17,22H,4-5,12-13,15-16H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55360891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).