1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H21N3O3 — CID 42926300

IUPAC1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c1-16(2)14(19)12-6-3-7-17(12)10-13(18)15-9-11-5-4-8-20-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,15,18)
InChIKeyXCRTXXFFRWKVQS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.45
Rot. Bonds5

About 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 42926300) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID42926300
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c1-16(2)14(19)12-6-3-7-17(12)10-13(18)15-9-11-5-4-8-20-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,15,18)
InChIKeyXCRTXXFFRWKVQS-UHFFFAOYSA-N
XLogP0.45
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55578962
1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60504716
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774859
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 71852465
N-(furan-2-ylmethyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53338057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 42926300) is 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)NCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is XCRTXXFFRWKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(2)14(19)12-6-3-7-17(12)10-13(18)15-9-11-5-4-8-20-11/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42926300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).