N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide

C15H21NO2 — CID 110790414

IUPACN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO2/c1-2-4-15(17)16-9-8-12-6-7-14-13(11-12)5-3-10-18-14/h6-7,11H,2-5,8-10H2,1H3,(H,16,17)
InChIKeyCNPQEFVTQVEGCH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide (PubChem CID 110790414) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
PubChem CID110790414
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO2/c1-2-4-15(17)16-9-8-12-6-7-14-13(11-12)5-3-10-18-14/h6-7,11H,2-5,8-10H2,1H3,(H,16,17)
InChIKeyCNPQEFVTQVEGCH-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide (CID 110790414) is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide is CCCC(=O)NCCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The InChIKey is CNPQEFVTQVEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-15(17)16-9-8-12-6-7-14-13(11-12)5-3-10-18-14/h6-7,11H,2-5,8-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide is sourced from PubChem (CID 110790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).