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

C15H21NO2 — CID 110680418

IUPACN-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCCC(C)NC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-11(2)16-15(17)10-12-8-9-18-14-7-5-4-6-13(12)14/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyYHCGQELXPOIKQN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds4

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

N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 110680418) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID110680418
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCCC(C)NC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-11(2)16-15(17)10-12-8-9-18-14-7-5-4-6-13(12)14/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyYHCGQELXPOIKQN-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
CID 95771072
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
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-(2-hydroxyethyl)-4-methylpentyl]acetamide
CID 111662437
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
1-butan-2-ylsulfanyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769830
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxypentan-2-one
CID 116707180
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 110680418) is N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide is CCC(C)NC(=O)CC1CCOc2ccccc21.
What is the InChIKey of N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is YHCGQELXPOIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11(2)16-15(17)10-12-8-9-18-14-7-5-4-6-13(12)14/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide?
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 110680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).