N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide

C23H31NO5 — CID 171387777

IUPACN-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N(C)CC3CCOCC3)ccc12
InChIInChI=1S/C23H31NO5/c1-5-6-18-13-21(25)29-22-15(2)20(8-7-19(18)22)28-16(3)23(26)24(4)14-17-9-11-27-12-10-17/h7-8,13,16-17H,5-6,9-12,14H2,1-4H3
InChIKeyDOHIBSZWDHDIHX-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.71
Rot. Bonds7

About N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide

N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide (PubChem CID 171387777) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide
PubChem CID171387777
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC NameN-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N(C)CC3CCOCC3)ccc12
InChIInChI=1S/C23H31NO5/c1-5-6-18-13-21(25)29-22-15(2)20(8-7-19(18)22)28-16(3)23(26)24(4)14-17-9-11-27-12-10-17/h7-8,13,16-17H,5-6,9-12,14H2,1-4H3
InChIKeyDOHIBSZWDHDIHX-UHFFFAOYSA-N
XLogP3.71
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide (CID 171387777) is N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide is CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)N(C)CC3CCOCC3)ccc12.
What is the InChIKey of N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is DOHIBSZWDHDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-5-6-18-13-21(25)29-22-15(2)20(8-7-19(18)22)28-16(3)23(26)24(4)14-17-9-11-27-12-10-17/h7-8,13,16-17H,5-6,9-12,14H2,1-4H3.
What are the key properties of N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide?
N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 401.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 171387777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).