N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide

C22H26N2O2 — CID 18167066

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1oc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(5-2)19(17-11-7-6-8-12-17)15-23-22(25)21-16(3)18-13-9-10-14-20(18)26-21/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
InChIKeyIHBAKOZNWSVDLU-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.55
Rot. Bonds7

About N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 18167066) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID18167066
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1oc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(5-2)19(17-11-7-6-8-12-17)15-23-22(25)21-16(3)18-13-9-10-14-20(18)26-21/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
InChIKeyIHBAKOZNWSVDLU-UHFFFAOYSA-N
XLogP4.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 18167066) is N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)C(CNC(=O)c1oc2ccccc2c1C)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IHBAKOZNWSVDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(5-2)19(17-11-7-6-8-12-17)15-23-22(25)21-16(3)18-13-9-10-14-20(18)26-21/h6-14,19H,4-5,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18167066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).