(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

C22H22ClNO5 — CID 7643681

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc12
InChIInChI=1S/C22H22ClNO5/c1-4-5-14-10-21(25)29-20-12-16(7-8-17(14)20)28-13(2)22(26)24-18-11-15(23)6-9-19(18)27-3/h6-13H,4-5H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyAYWZQNDLEIUMGJ-ZDUSSCGKSA-N
MW415.87 g/mol
LogP4.81
Rot. Bonds7

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (PubChem CID 7643681) has the molecular formula C22H22ClNO5 and a molecular weight of 415.87 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
PubChem CID7643681
Molecular FormulaC22H22ClNO5
Molecular Weight415.87 g/mol
Exact Mass415.12
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc12
InChIInChI=1S/C22H22ClNO5/c1-4-5-14-10-21(25)29-20-12-16(7-8-17(14)20)28-13(2)22(26)24-18-11-15(23)6-9-19(18)27-3/h6-13H,4-5H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyAYWZQNDLEIUMGJ-ZDUSSCGKSA-N
XLogP4.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 54.81
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
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 30580970
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (CID 7643681) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc12.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The InChIKey is AYWZQNDLEIUMGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22ClNO5/c1-4-5-14-10-21(25)29-20-12-16(7-8-17(14)20)28-13(2)22(26)24-18-11-15(23)6-9-19(18)27-3/h6-13H,4-5H2,1-3H3,(H,24,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide has a molecular weight of 415.87 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 7643681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).