N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

C22H21NO5 — CID 42581163

IUPACN-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C22H21NO5/c1-13-10-22(26)28-20-12-19(27-3)15(11-17(13)20)8-9-21(25)23-18-7-5-4-6-16(18)14(2)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyGSGCQHLJXPYADI-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.88
Rot. Bonds6

About N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (PubChem CID 42581163) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
PubChem CID42581163
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C22H21NO5/c1-13-10-22(26)28-20-12-19(27-3)15(11-17(13)20)8-9-21(25)23-18-7-5-4-6-16(18)14(2)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)
InChIKeyGSGCQHLJXPYADI-UHFFFAOYSA-N
XLogP3.88
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 56763715
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42536012
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 7954005
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
N-(2-chloro-4-pyridinyl)-3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanamide
CID 29132040
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The IUPAC name of N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (CID 42581163) is N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The canonical SMILES for N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The InChIKey is GSGCQHLJXPYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13-10-22(26)28-20-12-19(27-3)15(11-17(13)20)8-9-21(25)23-18-7-5-4-6-16(18)14(2)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide has a molecular weight of 379.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 42581163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).