N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide

C22H23NO5 — CID 75796722

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)cc1
InChIInChI=1S/C22H23NO5/c1-13(2)27-17-9-10-18-19(12-21(24)28-20(18)11-17)22(25)23-14(3)15-5-7-16(26-4)8-6-15/h5-14H,1-4H3,(H,23,25)
InChIKeyJGMSGEPXMRKISD-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.08
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide (PubChem CID 75796722) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
PubChem CID75796722
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)cc1
InChIInChI=1S/C22H23NO5/c1-13(2)27-17-9-10-18-19(12-21(24)28-20(18)11-17)22(25)23-14(3)15-5-7-16(26-4)8-6-15/h5-14H,1-4H3,(H,23,25)
InChIKeyJGMSGEPXMRKISD-UHFFFAOYSA-N
XLogP4.08
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.08
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-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 75796720
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795278
N-[(1S)-1-(4-fluorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795284
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967924
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide
CID 75796736
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[(1S)-1-(4-methoxyphenyl)ethyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794315
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide (CID 75796722) is N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide is COc1ccc(C(C)NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The InChIKey is JGMSGEPXMRKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-13(2)27-17-9-10-18-19(12-21(24)28-20(18)11-17)22(25)23-14(3)15-5-7-16(26-4)8-6-15/h5-14H,1-4H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide is sourced from PubChem (CID 75796722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).