N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide

C17H28N2O2 — CID 106974664

IUPACN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(Cc2ccc(C)o2)C(C)C)CCCN1
InChIInChI=1S/C17H28N2O2/c1-5-9-17(10-6-11-18-17)16(20)19(13(2)3)12-15-8-7-14(4)21-15/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyUKEPTVMISBDALD-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.25
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974664) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
PubChem CID106974664
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(Cc2ccc(C)o2)C(C)C)CCCN1
InChIInChI=1S/C17H28N2O2/c1-5-9-17(10-6-11-18-17)16(20)19(13(2)3)12-15-8-7-14(4)21-15/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyUKEPTVMISBDALD-UHFFFAOYSA-N
XLogP3.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 104596462
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106974977
N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 115435030
N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974762
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 64890963
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide (CID 106974664) is N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(Cc2ccc(C)o2)C(C)C)CCCN1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is UKEPTVMISBDALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-9-17(10-6-11-18-17)16(20)19(13(2)3)12-15-8-7-14(4)21-15/h7-8,13,18H,5-6,9-12H2,1-4H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).