2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide

C17H24N2O2 — CID 43226132

IUPAC2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1c(CC)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-4-10-18-17(20)12(3)19-11-14-13-8-6-7-9-16(13)21-15(14)5-2/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyDJPKVDMDGWXTRV-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.00
Rot. Bonds7

About 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide

2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide (PubChem CID 43226132) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
PubChem CID43226132
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1c(CC)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-4-10-18-17(20)12(3)19-11-14-13-8-6-7-9-16(13)21-15(14)5-2/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyDJPKVDMDGWXTRV-UHFFFAOYSA-N
XLogP3.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43226121
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide (CID 43226132) is 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1c(CC)oc2ccccc12.
What is the InChIKey of 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide?
The InChIKey is DJPKVDMDGWXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-18-17(20)12(3)19-11-14-13-8-6-7-9-16(13)21-15(14)5-2/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide?
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 43226132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).