N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide

C20H20N2O4 — CID 22433885

IUPACN-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-21-18-14-9-5-7-11-16(14)26-20(24)19(18)22-17(23)12-25-15-10-6-4-8-13(15)2/h4-11,21H,3,12H2,1-2H3,(H,22,23)
InChIKeySPPTUTHLXBVCCA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide

N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 22433885) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID22433885
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-21-18-14-9-5-7-11-16(14)26-20(24)19(18)22-17(23)12-25-15-10-6-4-8-13(15)2/h4-11,21H,3,12H2,1-2H3,(H,22,23)
InChIKeySPPTUTHLXBVCCA-UHFFFAOYSA-N
XLogP3.55
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433883
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814848
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
CID 17251997
N-(2-cyano-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 7560760
1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide (CID 22433885) is N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide is CCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is SPPTUTHLXBVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-21-18-14-9-5-7-11-16(14)26-20(24)19(18)22-17(23)12-25-15-10-6-4-8-13(15)2/h4-11,21H,3,12H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 22433885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).