N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C18H21N3O3 — CID 139007297

IUPACN-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCc2ccc(C(N)=O)o2)c1
InChIInChI=1S/C18H21N3O3/c1-12-4-2-5-13(10-12)15-6-3-9-21(15)18(23)20-11-14-7-8-16(24-14)17(19)22/h2,4-5,7-8,10,15H,3,6,9,11H2,1H3,(H2,19,22)(H,20,23)
InChIKeyDHIFOEYDXKUUSX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds4

About N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 139007297) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID139007297
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCc2ccc(C(N)=O)o2)c1
InChIInChI=1S/C18H21N3O3/c1-12-4-2-5-13(10-12)15-6-3-9-21(15)18(23)20-11-14-7-8-16(24-14)17(19)22/h2,4-5,7-8,10,15H,3,6,9,11H2,1H3,(H2,19,22)(H,20,23)
InChIKeyDHIFOEYDXKUUSX-UHFFFAOYSA-N
XLogP2.73
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[[(2R)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 94080915
(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076830
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2R)-N-(3-methylbutyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076879
5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126423001
ethyl 3-[[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]amino]propanoate
CID 93076906
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110900682
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166775775

Frequently Asked Questions

What is the IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 139007297) is N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(C2CCCN2C(=O)NCc2ccc(C(N)=O)o2)c1.
What is the InChIKey of N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DHIFOEYDXKUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-2-5-13(10-12)15-6-3-9-21(15)18(23)20-11-14-7-8-16(24-14)17(19)22/h2,4-5,7-8,10,15H,3,6,9,11H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 139007297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).