(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C19H20N2O3 — CID 95153639

IUPAC(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-8-16(10-17(12)20-13(2)22)21-19(23)15-9-14-5-3-4-6-18(14)24-11-15/h3-8,10,15H,9,11H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyCRNCNTIKDBFHNR-HNNXBMFYSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds3

About (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95153639) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95153639
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-8-16(10-17(12)20-13(2)22)21-19(23)15-9-14-5-3-4-6-18(14)24-11-15/h3-8,10,15H,9,11H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyCRNCNTIKDBFHNR-HNNXBMFYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(2-methyl-5-nitrophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628945
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95153639) is (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(=O)Nc1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1C.
What is the InChIKey of (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CRNCNTIKDBFHNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-8-16(10-17(12)20-13(2)22)21-19(23)15-9-14-5-3-4-6-18(14)24-11-15/h3-8,10,15H,9,11H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95153639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).