N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

C17H26N2O2 — CID 82174910

IUPACN-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(CC)cc(C(N)CC)cc21
InChIInChI=1S/C17H26N2O2/c1-4-11-9-12(14(18)5-2)10-13-15(19-16(20)6-3)7-8-21-17(11)13/h9-10,14-15H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyLSDXLRRALZYWMI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.01
Rot. Bonds5

About N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82174910) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82174910
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(CC)cc(C(N)CC)cc21
InChIInChI=1S/C17H26N2O2/c1-4-11-9-12(14(18)5-2)10-13-15(19-16(20)6-3)7-8-21-17(11)13/h9-10,14-15H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyLSDXLRRALZYWMI-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82174932
N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175005
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82174910) is N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is CCC(=O)NC1CCOc2c(CC)cc(C(N)CC)cc21.
What is the InChIKey of N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is LSDXLRRALZYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-11-9-12(14(18)5-2)10-13-15(19-16(20)6-3)7-8-21-17(11)13/h9-10,14-15H,4-8,18H2,1-3H3,(H,19,20).
What are the key properties of N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82174910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).