N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide

C20H23NO3 — CID 47006594

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)13-24-16-9-7-15(8-10-16)20(22)21-18-11-12-23-19-6-4-3-5-17(18)19/h3-10,14,18H,11-13H2,1-2H3,(H,21,22)
InChIKeyIHDSYYMNFUGLKR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.97
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide (PubChem CID 47006594) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
PubChem CID47006594
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)13-24-16-9-7-15(8-10-16)20(22)21-18-11-12-23-19-6-4-3-5-17(18)19/h3-10,14,18H,11-13H2,1-2H3,(H,21,22)
InChIKeyIHDSYYMNFUGLKR-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39969204
N-[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8927895
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806285
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 4-prop-2-enoxybenzoate
CID 55569612
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide (CID 47006594) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide?
The InChIKey is IHDSYYMNFUGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)13-24-16-9-7-15(8-10-16)20(22)21-18-11-12-23-19-6-4-3-5-17(18)19/h3-10,14,18H,11-13H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 47006594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).