N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide

C20H25N3O3 — CID 33283616

IUPACN-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCc1ccccc1CN1CCCC1)C(=O)c1ccco1
InChIInChI=1S/C20H25N3O3/c1-22(20(25)18-9-6-12-26-18)15-19(24)21-13-16-7-2-3-8-17(16)14-23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,21,24)
InChIKeyDWHFQFPKTVMBNZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide

N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide (PubChem CID 33283616) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
PubChem CID33283616
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCc1ccccc1CN1CCCC1)C(=O)c1ccco1
InChIInChI=1S/C20H25N3O3/c1-22(20(25)18-9-6-12-26-18)15-19(24)21-13-16-7-2-3-8-17(16)14-23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,21,24)
InChIKeyDWHFQFPKTVMBNZ-UHFFFAOYSA-N
XLogP2.26
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43062380
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41438126
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 104957500

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide (CID 33283616) is N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide is CN(CC(=O)NCc1ccccc1CN1CCCC1)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The InChIKey is DWHFQFPKTVMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(20(25)18-9-6-12-26-18)15-19(24)21-13-16-7-2-3-8-17(16)14-23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,21,24).
What are the key properties of N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide?
N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 33283616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).