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

C20H21NO3 — CID 118199635

IUPACN-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C20H21NO3/c1-13-5-7-16(12-18(13)23-4)21-19(22)15-6-8-17-14(11-15)9-10-20(2,3)24-17/h5-12H,1-4H3,(H,21,22)
InChIKeyLNSZEAUETREASE-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.44
Rot. Bonds3

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

N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide (PubChem CID 118199635) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
PubChem CID118199635
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C
InChIInChI=1S/C20H21NO3/c1-13-5-7-16(12-18(13)23-4)21-19(22)15-6-8-17-14(11-15)9-10-20(2,3)24-17/h5-12H,1-4H3,(H,21,22)
InChIKeyLNSZEAUETREASE-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
CID 118199581
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
2,2-dimethyl-N'-(2-methylphenyl)chromene-6-carbohydrazide
CID 171487218
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
(E)-1-(3,4-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 118057441

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide?
The IUPAC name of N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide (CID 118199635) is N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide.
What is the SMILES notation for N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide?
The canonical SMILES for N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide is COc1cc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C.
What is the InChIKey of N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide?
The InChIKey is LNSZEAUETREASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-5-7-16(12-18(13)23-4)21-19(22)15-6-8-17-14(11-15)9-10-20(2,3)24-17/h5-12H,1-4H3,(H,21,22).
What are the key properties of N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide?
N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.44, 3 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)-2,2-dimethylchromene-6-carboxamide is sourced from PubChem (CID 118199635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).