N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide

C14H20N2O2 — CID 104524073

IUPACN-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1c2ccccc2OCC1C
InChIInChI=1S/C14H20N2O2/c1-9-8-18-12-7-5-4-6-11(12)13(9)16-10(2)14(17)15-3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyPDRSSPCRFDVLDQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds3

About N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide

N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide (PubChem CID 104524073) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
PubChem CID104524073
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1c2ccccc2OCC1C
InChIInChI=1S/C14H20N2O2/c1-9-8-18-12-7-5-4-6-11(12)13(9)16-10(2)14(17)15-3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyPDRSSPCRFDVLDQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide (CID 104524073) is N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide is CNC(=O)C(C)NC1c2ccccc2OCC1C.
What is the InChIKey of N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
The InChIKey is PDRSSPCRFDVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-18-12-7-5-4-6-11(12)13(9)16-10(2)14(17)15-3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide?
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide is sourced from PubChem (CID 104524073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).