N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide

C18H27NO3 — CID 82175134

IUPACN-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
SMILESCCCC(=O)NC1CCOc2c(C(O)CCC)cc(C)cc21
InChIInChI=1S/C18H27NO3/c1-4-6-16(20)14-11-12(3)10-13-15(8-9-22-18(13)14)19-17(21)7-5-2/h10-11,15-16,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyMVTNBCVNCJPOQI-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.57
Rot. Bonds6

About N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide

N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide (PubChem CID 82175134) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide.

Molecular Properties

Compound NameN-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
PubChem CID82175134
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
SMILESCCCC(=O)NC1CCOc2c(C(O)CCC)cc(C)cc21
InChIInChI=1S/C18H27NO3/c1-4-6-16(20)14-11-12(3)10-13-15(8-9-22-18(13)14)19-17(21)7-5-2/h10-11,15-16,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyMVTNBCVNCJPOQI-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide
CID 110478605
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
CID 51104169
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910

Frequently Asked Questions

What is the IUPAC name of N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide?
The IUPAC name of N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide (CID 82175134) is N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide.
What is the SMILES notation for N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide?
The canonical SMILES for N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide is CCCC(=O)NC1CCOc2c(C(O)CCC)cc(C)cc21.
What is the InChIKey of N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide?
The InChIKey is MVTNBCVNCJPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-6-16(20)14-11-12(3)10-13-15(8-9-22-18(13)14)19-17(21)7-5-2/h10-11,15-16,20H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide?
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide is sourced from PubChem (CID 82175134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).