N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate

C19H16NO6- — CID 57363248

IUPACN-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate
SMILESCOc1ccc(N(C(=O)[O-])c2ccc3c(C)cc(=O)oc3c2)c(OC)c1
InChIInChI=1S/C19H17NO6/c1-11-8-18(21)26-16-9-12(4-6-14(11)16)20(19(22)23)15-7-5-13(24-2)10-17(15)25-3/h4-10H,1-3H3,(H,22,23)/p-1
InChIKeyRDMYCKUQMFONIY-UHFFFAOYSA-M
MW354.34 g/mol
LogP2.60
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate

N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate (PubChem CID 57363248) has the molecular formula C19H16NO6- and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate
PubChem CID57363248
Molecular FormulaC19H16NO6-
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC NameN-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate
SMILESCOc1ccc(N(C(=O)[O-])c2ccc3c(C)cc(=O)oc3c2)c(OC)c1
InChIInChI=1S/C19H17NO6/c1-11-8-18(21)26-16-9-12(4-6-14(11)16)20(19(22)23)15-7-5-13(24-2)10-17(15)25-3/h4-10H,1-3H3,(H,22,23)/p-1
InChIKeyRDMYCKUQMFONIY-UHFFFAOYSA-M
XLogP2.60
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883
(4-methyl-2-oxochromen-7-yl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 1181224
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(4-methyl-2-oxochromen-7-yl) 4-[(4-methoxyphenyl)diazenyl]benzoate
CID 101178853
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate (CID 57363248) is N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate is COc1ccc(N(C(=O)[O-])c2ccc3c(C)cc(=O)oc3c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate?
The InChIKey is RDMYCKUQMFONIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO6/c1-11-8-18(21)26-16-9-12(4-6-14(11)16)20(19(22)23)15-7-5-13(24-2)10-17(15)25-3/h4-10H,1-3H3,(H,22,23)/p-1.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate?
N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate has a molecular weight of 354.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate is sourced from PubChem (CID 57363248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).