N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide

C17H22N2O2 — CID 107366158

IUPACN-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-13-11-16(14(2)21-13)17(20)19(10-6-9-18)12-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12,18H2,1-2H3
InChIKeyJNKGJMFLBYUPTQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.89
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide

N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 107366158) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
PubChem CID107366158
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-13-11-16(14(2)21-13)17(20)19(10-6-9-18)12-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12,18H2,1-2H3
InChIKeyJNKGJMFLBYUPTQ-UHFFFAOYSA-N
XLogP2.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501
N-benzyl-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154568

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide (CID 107366158) is N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is JNKGJMFLBYUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-11-16(14(2)21-13)17(20)19(10-6-9-18)12-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 107366158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).