N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide

C12H15NO2 — CID 110709223

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-10-6-7-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKeyNERGMQGANNSAHI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide (PubChem CID 110709223) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
PubChem CID110709223
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-10-6-7-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKeyNERGMQGANNSAHI-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide
CID 166218708
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide (CID 110709223) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide is CC(=O)NCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide?
The InChIKey is NERGMQGANNSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)13-8-10-6-7-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide is sourced from PubChem (CID 110709223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).