N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C21H29N3O2 — CID 110621179

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C21H29N3O2/c1-16-7-4-8-17(13-16)15-24-11-5-9-18(24)21(25)22-14-19(23(2)3)20-10-6-12-26-20/h4,6-8,10,12-13,18-19H,5,9,11,14-15H2,1-3H3,(H,22,25)
InChIKeyTVAUZPFGIPNKBJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110621179) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110621179
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C21H29N3O2/c1-16-7-4-8-17(13-16)15-24-11-5-9-18(24)21(25)22-14-19(23(2)3)20-10-6-12-26-20/h4,6-8,10,12-13,18-19H,5,9,11,14-15H2,1-3H3,(H,22,25)
InChIKeyTVAUZPFGIPNKBJ-UHFFFAOYSA-N
XLogP2.97
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 51085663
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
N-(1,1-dioxothiolan-3-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110411792
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110419524
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 110621179) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCCC2C(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is TVAUZPFGIPNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-7-4-8-17(13-16)15-24-11-5-9-18(24)21(25)22-14-19(23(2)3)20-10-6-12-26-20/h4,6-8,10,12-13,18-19H,5,9,11,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110621179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).