2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide

C16H24N2O2 — CID 60677318

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-11(2)10-17-16(19)12(3)18-14-8-9-20-15-7-5-4-6-13(14)15/h4-7,11-12,14,18H,8-10H2,1-3H3,(H,17,19)
InChIKeySIIALIILZNYFOZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide (PubChem CID 60677318) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
PubChem CID60677318
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-11(2)10-17-16(19)12(3)18-14-8-9-20-15-7-5-4-6-13(14)15/h4-7,11-12,14,18H,8-10H2,1-3H3,(H,17,19)
InChIKeySIIALIILZNYFOZ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
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-ylpropanamide
CID 60722358
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea
CID 115571937
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide
CID 62067048
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
1-(2-methylpropyl)-3-(2,3,4,5-tetrahydro-1,4-benzoxazepin-5-ylmethyl)urea
CID 165450407
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide (CID 60677318) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is SIIALIILZNYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)10-17-16(19)12(3)18-14-8-9-20-15-7-5-4-6-13(14)15/h4-7,11-12,14,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 5 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 60677318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).