N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

C19H22N2O2 — CID 75768838

IUPACN-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc2occc2n1Cc1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-19(22)17-11-18-16(9-10-23-18)21(17)12-15-8-6-5-7-13(15)2/h5-11,14H,4,12H2,1-3H3,(H,20,22)
InChIKeyKUERVFURTXVWFQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.12
Rot. Bonds5

About N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 75768838) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID75768838
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc2occc2n1Cc1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-19(22)17-11-18-16(9-10-23-18)21(17)12-15-8-6-5-7-13(15)2/h5-11,14H,4,12H2,1-3H3,(H,20,22)
InChIKeyKUERVFURTXVWFQ-UHFFFAOYSA-N
XLogP4.12
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
4-[(2-methylphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 75768839
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769582
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 75768838) is N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is CCC(C)NC(=O)c1cc2occc2n1Cc1ccccc1C.
What is the InChIKey of N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KUERVFURTXVWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-14(3)20-19(22)17-11-18-16(9-10-23-18)21(17)12-15-8-6-5-7-13(15)2/h5-11,14H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75768838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).