3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide

C20H21N3O4 — CID 39952245

IUPAC3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-12(24)21-15-9-14(10-16(11-15)22-13(2)25)20(26)23-18-7-8-27-19-6-4-3-5-17(18)19/h3-6,9-11,18H,7-8H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyILLKPDLJUAUIPP-GOSISDBHSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds4

About 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide

3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide (PubChem CID 39952245) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
PubChem CID39952245
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-12(24)21-15-9-14(10-16(11-15)22-13(2)25)20(26)23-18-7-8-27-19-6-4-3-5-17(18)19/h3-6,9-11,18H,7-8H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyILLKPDLJUAUIPP-GOSISDBHSA-N
XLogP2.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 17397287
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 47051952

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide (CID 39952245) is 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CCOc3ccccc32)c1.
What is the InChIKey of 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The InChIKey is ILLKPDLJUAUIPP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(24)21-15-9-14(10-16(11-15)22-13(2)25)20(26)23-18-7-8-27-19-6-4-3-5-17(18)19/h3-6,9-11,18H,7-8H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide?
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide is sourced from PubChem (CID 39952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).