N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide

C20H21NO2 — CID 118199582

IUPACN-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1C
InChIInChI=1S/C20H21NO2/c1-13-5-7-17(11-14(13)2)21-19(22)16-6-8-18-15(12-16)9-10-20(3,4)23-18/h5-12H,1-4H3,(H,21,22)
InChIKeyBCXPGZYLKQKPKM-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.74
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide (PubChem CID 118199582) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
PubChem CID118199582
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1C
InChIInChI=1S/C20H21NO2/c1-13-5-7-17(11-14(13)2)21-19(22)16-6-8-18-15(12-16)9-10-20(3,4)23-18/h5-12H,1-4H3,(H,21,22)
InChIKeyBCXPGZYLKQKPKM-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
2,2-dimethyl-N'-(2-methylphenyl)chromene-6-carbohydrazide
CID 171487218
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
CID 118199581
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
N'-(2-chloro-3-fluorophenyl)-2,2-dimethylchromene-6-carbohydrazide
CID 171487223
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide (CID 118199582) is N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide?
The InChIKey is BCXPGZYLKQKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-5-7-17(11-14(13)2)21-19(22)16-6-8-18-15(12-16)9-10-20(3,4)23-18/h5-12H,1-4H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide?
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide is sourced from PubChem (CID 118199582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).