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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Related Compounds

N-(cyclopropylmethyl)-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-methylpropanamide
CID 171910404
(2R)-N-[2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 125278026
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
(2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoic acid
CID 42235156
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7621963
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 110207606
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848
7-[(2R)-1-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-4-ethyl-8-methylchromen-2-one
CID 7091576

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).