N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide

C26H29N3O3 — CID 42797153

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)N(CCN(C)C)Cc3ccccc3)cc3ccoc32)c1
InChIInChI=1S/C26H29N3O3/c1-27(2)13-14-28(18-20-8-5-4-6-9-20)25(30)24-17-22-12-15-32-26(22)29(24)19-21-10-7-11-23(16-21)31-3/h4-12,15-17H,13-14,18-19H2,1-3H3
InChIKeyBUIXSWYQMQEFRV-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.50
Rot. Bonds9

About N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797153) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
PubChem CID42797153
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)N(CCN(C)C)Cc3ccccc3)cc3ccoc32)c1
InChIInChI=1S/C26H29N3O3/c1-27(2)13-14-28(18-20-8-5-4-6-9-20)25(30)24-17-22-12-15-32-26(22)29(24)19-21-10-7-11-23(16-21)31-3/h4-12,15-17H,13-14,18-19H2,1-3H3
InChIKeyBUIXSWYQMQEFRV-UHFFFAOYSA-N
XLogP4.50
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079990
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 4554266
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrol-5-yl]-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 42797487
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42664420
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 67108105
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42664361
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]furan-2-carboxamide
CID 97479562
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 1053873
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide (CID 42797153) is N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide is COc1cccc(Cn2c(C(=O)N(CCN(C)C)Cc3ccccc3)cc3ccoc32)c1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The InChIKey is BUIXSWYQMQEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-27(2)13-14-28(18-20-8-5-4-6-9-20)25(30)24-17-22-12-15-32-26(22)29(24)19-21-10-7-11-23(16-21)31-3/h4-12,15-17H,13-14,18-19H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).