2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide

C17H26N2O2 — CID 60722358

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-4-7-12(2)18-17(20)13(3)19-15-10-11-21-16-9-6-5-8-14(15)16/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyJCSJTKNBRLESOW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds6

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide (PubChem CID 60722358) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
PubChem CID60722358
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-4-7-12(2)18-17(20)13(3)19-15-10-11-21-16-9-6-5-8-14(15)16/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyJCSJTKNBRLESOW-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide (CID 60722358) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide?
The InChIKey is JCSJTKNBRLESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-12(2)18-17(20)13(3)19-15-10-11-21-16-9-6-5-8-14(15)16/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.79, 6 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-ylamino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 60722358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).