N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide

C21H23NO3 — CID 118199581

IUPACN-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C21H23NO3/c1-14-5-6-15(11-19(14)24-4)13-22-20(23)17-7-8-18-16(12-17)9-10-21(2,3)25-18/h5-12H,13H2,1-4H3,(H,22,23)
InChIKeyOESGFRXAPKXNAF-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.12
Rot. Bonds4

About N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide

N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide (PubChem CID 118199581) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
PubChem CID118199581
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C21H23NO3/c1-14-5-6-15(11-19(14)24-4)13-22-20(23)17-7-8-18-16(12-17)9-10-21(2,3)25-18/h5-12H,13H2,1-4H3,(H,22,23)
InChIKeyOESGFRXAPKXNAF-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
(3,4-dimethoxy-5-methylphenyl)methyl 2,2-dimethylchromene-6-carboxylate
CID 59769762
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 118199612
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
(2,2-dimethylchromen-6-yl) 3,4-dimethoxybenzoate
CID 89257218
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide (CID 118199581) is N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide is COc1cc(CNC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide?
The InChIKey is OESGFRXAPKXNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14-5-6-15(11-19(14)24-4)13-22-20(23)17-7-8-18-16(12-17)9-10-21(2,3)25-18/h5-12H,13H2,1-4H3,(H,22,23).
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide?
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide is sourced from PubChem (CID 118199581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).