N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide

C20H22N2O2 — CID 810205

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C20H22N2O2/c1-16(2)22(20(23)19-11-7-13-24-19)15-18-10-6-12-21(18)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyWBOXWWSLZIYALL-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.18
Rot. Bonds6

About N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 810205) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID810205
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C20H22N2O2/c1-16(2)22(20(23)19-11-7-13-24-19)15-18-10-6-12-21(18)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyWBOXWWSLZIYALL-UHFFFAOYSA-N
XLogP4.18
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42776763
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42762739
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4032346
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 3566548
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-propan-2-ylacetamide
CID 810212
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 3550888
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]furan-2-carboxamide
CID 97479562
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dichlorophenyl)-1-propan-2-ylurea
CID 4299345
2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide
CID 3993556
1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylphenyl)-1-propan-2-ylurea
CID 3996330

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 810205) is N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)N(Cc1cccn1Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is WBOXWWSLZIYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-16(2)22(20(23)19-11-7-13-24-19)15-18-10-6-12-21(18)14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 810205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).