N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C29H30N2O5 — CID 19972581

IUPACN-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCOc1ccccc1OCCNCCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C29H30N2O5/c1-20-26(32)22-12-8-13-23(28(22)36-27(20)21-10-4-3-5-11-21)29(33)31-17-9-16-30-18-19-35-25-15-7-6-14-24(25)34-2/h3-8,10-15,30H,9,16-19H2,1-2H3,(H,31,33)
InChIKeyKDLDDFQFOSUQGH-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.57
Rot. Bonds11

About N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 19972581) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID19972581
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCOc1ccccc1OCCNCCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C29H30N2O5/c1-20-26(32)22-12-8-13-23(28(22)36-27(20)21-10-4-3-5-11-21)29(33)31-17-9-16-30-18-19-35-25-15-7-6-14-24(25)34-2/h3-8,10-15,30H,9,16-19H2,1-2H3,(H,31,33)
InChIKeyKDLDDFQFOSUQGH-UHFFFAOYSA-N
XLogP4.57
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
3-methyl-N-[3-[2-(2-methylsulfanylphenoxy)ethylamino]propyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 19972643
8-[2-[2-(2,6-dimethoxyphenyl)ethylamino]ethoxy]-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 24835332
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
bis(2-(4-benzoylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxochromene-8-carboxamide);methanesulfonic acid;hydrate
CID 173328171
N-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19382789
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 19972581) is N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is COc1ccccc1OCCNCCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is KDLDDFQFOSUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-20-26(32)22-12-8-13-23(28(22)36-27(20)21-10-4-3-5-11-21)29(33)31-17-9-16-30-18-19-35-25-15-7-6-14-24(25)34-2/h3-8,10-15,30H,9,16-19H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 19972581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).