N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide

C19H21NO5 — CID 86990683

IUPACN-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H21NO5/c21-18(20(15-3-4-15)10-13-7-8-23-11-13)12-24-16-5-1-14-2-6-19(22)25-17(14)9-16/h1-2,5-6,9,13,15H,3-4,7-8,10-12H2
InChIKeyPNBCAHIQJWBECK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.20
Rot. Bonds6

About N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide

N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 86990683) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide
PubChem CID86990683
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H21NO5/c21-18(20(15-3-4-15)10-13-7-8-23-11-13)12-24-16-5-1-14-2-6-19(22)25-17(14)9-16/h1-2,5-6,9,13,15H,3-4,7-8,10-12H2
InChIKeyPNBCAHIQJWBECK-UHFFFAOYSA-N
XLogP2.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55304815
2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119427483
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide (CID 86990683) is N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide is O=C(COc1ccc2ccc(=O)oc2c1)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is PNBCAHIQJWBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-18(20(15-3-4-15)10-13-7-8-23-11-13)12-24-16-5-1-14-2-6-19(22)25-17(14)9-16/h1-2,5-6,9,13,15H,3-4,7-8,10-12H2.
What are the key properties of N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide?
N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 86990683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).