N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C23H29N3O3 — CID 51251275

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc(C)n(Cc3ccco3)c2C)N(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-16-12-21(17(2)26(16)15-20-10-7-11-29-20)23(27)24-14-22(25(3)4)18-8-6-9-19(13-18)28-5/h6-13,22H,14-15H2,1-5H3,(H,24,27)
InChIKeyJNZPCERFWZSWGN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 51251275) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID51251275
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc(C)n(Cc3ccco3)c2C)N(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-16-12-21(17(2)26(16)15-20-10-7-11-29-20)23(27)24-14-22(25(3)4)18-8-6-9-19(13-18)28-5/h6-13,22H,14-15H2,1-5H3,(H,24,27)
InChIKeyJNZPCERFWZSWGN-UHFFFAOYSA-N
XLogP3.79
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
CID 46599371
N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43047470
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 51251275) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is COc1cccc(C(CNC(=O)c2cc(C)n(Cc3ccco3)c2C)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JNZPCERFWZSWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-12-21(17(2)26(16)15-20-10-7-11-29-20)23(27)24-14-22(25(3)4)18-8-6-9-19(13-18)28-5/h6-13,22H,14-15H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 51251275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).