N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

C20H24N2O3 — CID 815268

IUPACN-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC2CC2)Cc2ccccc2)c(C)o1
InChIInChI=1S/C20H24N2O3/c1-14-12-18(15(2)25-14)20(24)22(13-16-6-4-3-5-7-16)11-10-19(23)21-17-8-9-17/h3-7,12,17H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyPRXKMYDGZRMEBK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 815268) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID815268
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC2CC2)Cc2ccccc2)c(C)o1
InChIInChI=1S/C20H24N2O3/c1-14-12-18(15(2)25-14)20(24)22(13-16-6-4-3-5-7-16)11-10-19(23)21-17-8-9-17/h3-7,12,17H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyPRXKMYDGZRMEBK-UHFFFAOYSA-N
XLogP3.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780281
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 3488560
2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
CID 42779721
5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226359

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (CID 815268) is N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NC2CC2)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PRXKMYDGZRMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-12-18(15(2)25-14)20(24)22(13-16-6-4-3-5-7-16)11-10-19(23)21-17-8-9-17/h3-7,12,17H,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 815268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).