2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide

C18H25NO3 — CID 111460132

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1CCOc2ccccc21)NCC1CCCC(O)C1
InChIInChI=1S/C18H25NO3/c20-15-5-3-4-13(10-15)12-19-18(21)11-14-8-9-22-17-7-2-1-6-16(14)17/h1-2,6-7,13-15,20H,3-5,8-12H2,(H,19,21)
InChIKeyGLIHRLPGGNGPJL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.61
Rot. Bonds4

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

2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111460132) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID111460132
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1CCOc2ccccc21)NCC1CCCC(O)C1
InChIInChI=1S/C18H25NO3/c20-15-5-3-4-13(10-15)12-19-18(21)11-14-8-9-22-17-7-2-1-6-16(14)17/h1-2,6-7,13-15,20H,3-5,8-12H2,(H,19,21)
InChIKeyGLIHRLPGGNGPJL-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
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-(2-morpholin-4-ylethyl)acetamide
CID 110680430
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
CID 79229291

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 111460132) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide is O=C(CC1CCOc2ccccc21)NCC1CCCC(O)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is GLIHRLPGGNGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-15-5-3-4-13(10-15)12-19-18(21)11-14-8-9-22-17-7-2-1-6-16(14)17/h1-2,6-7,13-15,20H,3-5,8-12H2,(H,19,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 2.61, 4 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-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111460132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).