3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide

C25H35N3O6 — CID 73256610

IUPAC3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)NC(C)C
InChIInChI=1S/C25H35N3O6/c1-8-14(4)22(24(31)27-13(2)3)28-20(29)11-26-21(30)12-33-19-10-9-18-15(5)16(6)25(32)34-23(18)17(19)7/h9-10,13-14,22H,8,11-12H2,1-7H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyOOQLOZUKWKSXRE-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.27
Rot. Bonds10

About 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide

3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide (PubChem CID 73256610) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide
PubChem CID73256610
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Name3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)NC(C)C
InChIInChI=1S/C25H35N3O6/c1-8-14(4)22(24(31)27-13(2)3)28-20(29)11-26-21(30)12-33-19-10-9-18-15(5)16(6)25(32)34-23(18)17(19)7/h9-10,13-14,22H,8,11-12H2,1-7H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyOOQLOZUKWKSXRE-UHFFFAOYSA-N
XLogP2.27
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[[2-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
CID 3674779
N-(3-hydroxypropyl)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]butanamide
CID 73400872
(2R)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 44667762
3-methylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5237987
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 110205913
3-methyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]butanoic acid
CID 3818637
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4837681
2-[[(2R)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 7086909
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetic acid
CID 7013187
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
3-butyl-4,8-dimethyl-7-(2-oxopropoxy)chromen-2-one
CID 4575609

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide?
The IUPAC name of 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide (CID 73256610) is 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide is CCC(C)C(NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)NC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide?
The InChIKey is OOQLOZUKWKSXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-8-14(4)22(24(31)27-13(2)3)28-20(29)11-26-21(30)12-33-19-10-9-18-15(5)16(6)25(32)34-23(18)17(19)7/h9-10,13-14,22H,8,11-12H2,1-7H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide?
3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide has a molecular weight of 473.57 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-[[2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanamide is sourced from PubChem (CID 73256610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).