(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide

C23H26N2O4 — CID 7621963

IUPAC(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C23H26N2O4/c1-4-5-8-17-13-21(26)29-22-15(2)20(11-10-19(17)22)28-16(3)23(27)25-14-18-9-6-7-12-24-18/h6-7,9-13,16H,4-5,8,14H2,1-3H3,(H,25,27)/t16-/m1/s1
InChIKeySHJAECNTWYBMJT-MRXNPFEDSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds8

About (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide

(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 7621963) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID7621963
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C23H26N2O4/c1-4-5-8-17-13-21(26)29-22-15(2)20(11-10-19(17)22)28-16(3)23(27)25-14-18-9-6-7-12-24-18/h6-7,9-13,16H,4-5,8,14H2,1-3H3,(H,25,27)/t16-/m1/s1
InChIKeySHJAECNTWYBMJT-MRXNPFEDSA-N
XLogP3.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.92
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

(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7632625
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7618429
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070038
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoic acid
CID 42235156
methyl (2S)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 7345361
(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7596637
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4905099
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580
(2S)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]hexanoic acid
CID 6351192
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (CID 7621963) is (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12.
What is the InChIKey of (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is SHJAECNTWYBMJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-5-8-17-13-21(26)29-22-15(2)20(11-10-19(17)22)28-16(3)23(27)25-14-18-9-6-7-12-24-18/h6-7,9-13,16H,4-5,8,14H2,1-3H3,(H,25,27)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 7621963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).