N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide

C20H19NO4 — CID 45483647

IUPACN,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
SMILESCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-21(2)19(22)10-15-11-20(23)25-18-12-16(8-9-17(15)18)24-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3
InChIKeyROAIVCUOJBAAAE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.00
Rot. Bonds5

About N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide

N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide (PubChem CID 45483647) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
PubChem CID45483647
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
SMILESCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-21(2)19(22)10-15-11-20(23)25-18-12-16(8-9-17(15)18)24-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3
InChIKeyROAIVCUOJBAAAE-UHFFFAOYSA-N
XLogP3.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yloxy)-acetamide
CID 744830
Cmld-2
CID 16746438
N,N-diethyl-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 988851
2-[7-(Benzyloxy)-2-oxo-2H-chromen-4-yl]acetamide
CID 44541904
7-[2-oxo-2-(piperidin-1-yl)ethoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
CID 723335
[3-[(4-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 2730801
3,6-Bis[5-(diethylamino)pentoxy]xanthen-9-one
CID 10185899
8-Methoxy-3-phenethyl-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10568805
8-Methoxy-3-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10689266
4-[(Hydrazinocarbonyl)methyl]-7-benzyloxy-2H-chromen-2-one
CID 11947929
4-[(Aminocarbonyl)methyl]-7-(3-hydroxybenzyloxy)-2H-chromen-2-one
CID 11947930
4-[(Methylaminocarbonyl)methyl]-7-(3-chlorobenzyloxy)-2H-chromen-2-one
CID 11947971

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide (CID 45483647) is N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide is CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The InChIKey is ROAIVCUOJBAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-21(2)19(22)10-15-11-20(23)25-18-12-16(8-9-17(15)18)24-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide is sourced from PubChem (CID 45483647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).