N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide

C13H21ClN2O2 — CID 79667920

IUPACN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H21ClN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3
InChIKeyHNNYAYQCAILCRG-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.77
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide (PubChem CID 79667920) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
PubChem CID79667920
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H21ClN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3
InChIKeyHNNYAYQCAILCRG-UHFFFAOYSA-N
XLogP2.77
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
CID 79667687
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
CID 106683116
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
CID 113439418
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide (CID 79667920) is N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide?
The InChIKey is HNNYAYQCAILCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide is sourced from PubChem (CID 79667920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).