2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C21H27NO2 — CID 18192975

IUPAC2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccccc21
InChIInChI=1S/C21H27NO2/c23-20(22-18-5-6-24-19-4-2-1-3-17(18)19)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,18H,5-13H2,(H,22,23)
InChIKeyCSHOLKLDUUIMCN-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds3

About 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 18192975) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID18192975
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccccc21
InChIInChI=1S/C21H27NO2/c23-20(22-18-5-6-24-19-4-2-1-3-17(18)19)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,18H,5-13H2,(H,22,23)
InChIKeyCSHOLKLDUUIMCN-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159559
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 18192975) is 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccccc21.
What is the InChIKey of 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is CSHOLKLDUUIMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20(22-18-5-6-24-19-4-2-1-3-17(18)19)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,18H,5-13H2,(H,22,23).
What are the key properties of 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 18192975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).