2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide

C19H29NO3 — CID 111662437

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
SMILESCC(C)CC(CCO)CNC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO3/c1-14(2)11-15(7-9-21)13-20-19(22)12-16-8-10-23-18-6-4-3-5-17(16)18/h3-6,14-16,21H,7-13H2,1-2H3,(H,20,22)
InChIKeyYHUJAVFOOUTIFG-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.10
Rot. Bonds8

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide (PubChem CID 111662437) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
PubChem CID111662437
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
SMILESCC(C)CC(CCO)CNC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO3/c1-14(2)11-15(7-9-21)13-20-19(22)12-16-8-10-23-18-6-4-3-5-17(16)18/h3-6,14-16,21H,7-13H2,1-2H3,(H,20,22)
InChIKeyYHUJAVFOOUTIFG-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
CID 115757110
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111697545
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104772524
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide (CID 111662437) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide is CC(C)CC(CCO)CNC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide?
The InChIKey is YHUJAVFOOUTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)11-15(7-9-21)13-20-19(22)12-16-8-10-23-18-6-4-3-5-17(16)18/h3-6,14-16,21H,7-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide has a molecular weight of 319.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide is sourced from PubChem (CID 111662437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).