2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide

C16H22N2O3 — CID 18115199

IUPAC2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1CCOc2ccccc21)C(C)C
InChIInChI=1S/C16H22N2O3/c1-10(2)15(17-11(3)19)16(20)18-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13,15H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWINZZHHULGQHMH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.79
Rot. Bonds4

About 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide

2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide (PubChem CID 18115199) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
PubChem CID18115199
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1CCOc2ccccc21)C(C)C
InChIInChI=1S/C16H22N2O3/c1-10(2)15(17-11(3)19)16(20)18-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13,15H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWINZZHHULGQHMH-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(3,4-dihydro-2H-chromen-4-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55942917
N-[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 8927888
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
N-[1-(3,4-dihydro-2H-chromen-4-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 55371020
N-[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 8927905
N-[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8927895
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide (CID 18115199) is 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide is CC(=O)NC(C(=O)NC1CCOc2ccccc21)C(C)C.
What is the InChIKey of 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The InChIKey is WINZZHHULGQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)15(17-11(3)19)16(20)18-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13,15H,8-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide has a molecular weight of 290.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide is sourced from PubChem (CID 18115199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).