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

C18H27NO3 — CID 82174932

IUPACN-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
SMILESCCc1cc(C(C)O)cc2c1OCCC2NC(=O)C(C)CC
InChIInChI=1S/C18H27NO3/c1-5-11(3)18(21)19-16-7-8-22-17-13(6-2)9-14(12(4)20)10-15(16)17/h9-12,16,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyCQANDNSKDGFYDN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.29
Rot. Bonds5

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

N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide (PubChem CID 82174932) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
PubChem CID82174932
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
SMILESCCc1cc(C(C)O)cc2c1OCCC2NC(=O)C(C)CC
InChIInChI=1S/C18H27NO3/c1-5-11(3)18(21)19-16-7-8-22-17-13(6-2)9-14(12(4)20)10-15(16)17/h9-12,16,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyCQANDNSKDGFYDN-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629

Frequently Asked Questions

What is the IUPAC name of N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide?
The IUPAC name of N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide (CID 82174932) is N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide is CCc1cc(C(C)O)cc2c1OCCC2NC(=O)C(C)CC.
What is the InChIKey of N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide?
The InChIKey is CQANDNSKDGFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-11(3)18(21)19-16-7-8-22-17-13(6-2)9-14(12(4)20)10-15(16)17/h9-12,16,20H,5-8H2,1-4H3,(H,19,21).
What are the key properties of N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide?
N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide is sourced from PubChem (CID 82174932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).