1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide

C22H26N2O3 — CID 33117205

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCc2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N2O3/c1-17-14-21(18(2)24(17)15-20-10-6-13-27-20)22(25)23-11-7-12-26-16-19-8-4-3-5-9-19/h3-6,8-10,13-14H,7,11-12,15-16H2,1-2H3,(H,23,25)
InChIKeySWTZNFBROBBUIP-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.08
Rot. Bonds9

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide (PubChem CID 33117205) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
PubChem CID33117205
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCc2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N2O3/c1-17-14-21(18(2)24(17)15-20-10-6-13-27-20)22(25)23-11-7-12-26-16-19-8-4-3-5-9-19/h3-6,8-10,13-14H,7,11-12,15-16H2,1-2H3,(H,23,25)
InChIKeySWTZNFBROBBUIP-UHFFFAOYSA-N
XLogP4.08
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
CID 46599371
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
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-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 32759998
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(furan-2-ylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3690278
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide (CID 33117205) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCCCOCc2ccccc2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide?
The InChIKey is SWTZNFBROBBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-14-21(18(2)24(17)15-20-10-6-13-27-20)22(25)23-11-7-12-26-16-19-8-4-3-5-9-19/h3-6,8-10,13-14H,7,11-12,15-16H2,1-2H3,(H,23,25).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 33117205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).