N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide

C15H17ClN2O3 — CID 9262853

IUPACN-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(=O)oc2cc(C)c(Cl)cc12
InChIInChI=1S/C15H17ClN2O3/c1-9-5-14-12(7-13(9)16)11(6-15(20)21-14)8-17-3-4-18-10(2)19/h5-7,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyFDPLXYZLWJSGFH-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide

N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide (PubChem CID 9262853) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
PubChem CID9262853
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC NameN-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(=O)oc2cc(C)c(Cl)cc12
InChIInChI=1S/C15H17ClN2O3/c1-9-5-14-12(7-13(9)16)11(6-15(20)21-14)8-17-3-4-18-10(2)19/h5-7,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyFDPLXYZLWJSGFH-UHFFFAOYSA-N
XLogP1.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
CID 9262867
6-chloro-4-[[(4-hydroxycyclohexyl)amino]methyl]-7-methylchromen-2-one
CID 9265659
methyl 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]-4-methylbenzoate
CID 9347596
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methoxyacetate
CID 7775949
6-chloro-4-[[1-(4-fluorophenyl)ethylamino]methyl]-7-methylchromen-2-one
CID 4806215
6-chloro-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-7-methylchromen-2-one
CID 78787562
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-ethoxyacetate
CID 8850704
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922777
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-methoxybenzoate
CID 7861892
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549575
4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931369
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide (CID 9262853) is N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cc(=O)oc2cc(C)c(Cl)cc12.
What is the InChIKey of N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The InChIKey is FDPLXYZLWJSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9-5-14-12(7-13(9)16)11(6-15(20)21-14)8-17-3-4-18-10(2)19/h5-7,17H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide has a molecular weight of 308.77 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 9262853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).