N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide

C20H22N2O3 — CID 51104169

IUPACN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccccc1)CCO2
InChIInChI=1S/C20H22N2O3/c1-13-10-14(2)19-16(11-13)17(8-9-25-19)22-18(23)12-21-20(24)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIGLMLXSXOLTJAS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.67
Rot. Bonds4

About N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide

N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide (PubChem CID 51104169) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
PubChem CID51104169
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccccc1)CCO2
InChIInChI=1S/C20H22N2O3/c1-13-10-14(2)19-16(11-13)17(8-9-25-19)22-18(23)12-21-20(24)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIGLMLXSXOLTJAS-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104166
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 126776325
N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95157191
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97219941
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 82175134
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide (CID 51104169) is N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide is Cc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccccc1)CCO2.
What is the InChIKey of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is IGLMLXSXOLTJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-10-14(2)19-16(11-13)17(8-9-25-19)22-18(23)12-21-20(24)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51104169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).