2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide

C25H34N2O5 — CID 142005906

IUPAC2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide
SMILESCOc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)C(N)COC(C)(C)C)cc1CCC2
InChIInChI=1S/C25H34N2O5/c1-25(2,3)32-14-19(26)24(28)27-17-10-11-18-15(12-17)8-7-9-16-13-20(29-4)22(30-5)23(31-6)21(16)18/h10-13,19H,7-9,14,26H2,1-6H3,(H,27,28)
InChIKeyKFOYBWAPUSATCD-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.95
Rot. Bonds7

About 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide

2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide (PubChem CID 142005906) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide
PubChem CID142005906
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide
SMILESCOc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)C(N)COC(C)(C)C)cc1CCC2
InChIInChI=1S/C25H34N2O5/c1-25(2,3)32-14-19(26)24(28)27-17-10-11-18-15(12-17)8-7-9-16-13-20(29-4)22(30-5)23(31-6)21(16)18/h10-13,19H,7-9,14,26H2,1-6H3,(H,27,28)
InChIKeyKFOYBWAPUSATCD-UHFFFAOYSA-N
XLogP3.95
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
CID 142005929
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9369331
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
N-[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-2-(dimethylamino)acetamide
CID 58658602
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
(2S,3R)-N-(4-acetamidophenyl)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methylpentanamide
CID 75492495
4-[[(2R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-4-methylpentanoyl]amino]benzamide
CID 124906627
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
(2S)-6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-2-aminohexanoic acid
CID 6352930
(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide?
The IUPAC name of 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide (CID 142005906) is 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide.
What is the SMILES notation for 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide?
The canonical SMILES for 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide is COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)C(N)COC(C)(C)C)cc1CCC2.
What is the InChIKey of 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide?
The InChIKey is KFOYBWAPUSATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-25(2,3)32-14-19(26)24(28)27-17-10-11-18-15(12-17)8-7-9-16-13-20(29-4)22(30-5)23(31-6)21(16)18/h10-13,19H,7-9,14,26H2,1-6H3,(H,27,28).
What are the key properties of 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide?
2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)propanamide is sourced from PubChem (CID 142005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).