(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

C23H23NO5 — CID 30580970

IUPAC(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc12
InChIInChI=1S/C23H23NO5/c1-4-6-17-12-22(26)29-21-13-19(9-10-20(17)21)28-15(3)23(27)24-18-8-5-7-16(11-18)14(2)25/h5,7-13,15H,4,6H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyLWVHGTMYSTTYKG-OAHLLOKOSA-N
MW393.44 g/mol
LogP4.35
Rot. Bonds7

About (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (PubChem CID 30580970) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
PubChem CID30580970
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc12
InChIInChI=1S/C23H23NO5/c1-4-6-17-12-22(26)29-21-13-19(9-10-20(17)21)28-15(3)23(27)24-18-8-5-7-16(11-18)14(2)25/h5,7-13,15H,4,6H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyLWVHGTMYSTTYKG-OAHLLOKOSA-N
XLogP4.35
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.35
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

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 46633778
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 7643681
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511939
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (CID 30580970) is (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc12.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The InChIKey is LWVHGTMYSTTYKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23NO5/c1-4-6-17-12-22(26)29-21-13-19(9-10-20(17)21)28-15(3)23(27)24-18-8-5-7-16(11-18)14(2)25/h5,7-13,15H,4,6H2,1-3H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide has a molecular weight of 393.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 30580970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).