N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane

C34H48F2N4O2 — CID 168919287

IUPACN-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane
SMILESCC.CC.Cc1ccc(/C=C\CCC2CC(=O)NC(N)=N2)cc1C(CC(C)C)NC(=O)c1ccc2c(c1)CCC2(F)F
InChIInChI=1S/C30H36F2N4O2.2C2H6/c1-18(2)14-26(35-28(38)22-10-11-25-21(16-22)12-13-30(25,31)32)24-15-20(9-8-19(24)3)6-4-5-7-23-17-27(37)36-29(33)34-23;2*1-2/h4,6,8-11,15-16,18,23,26H,5,7,12-14,17H2,1-3H3,(H,35,38)(H3,33,34,36,37);2*1-2H3/b6-4-;;
InChIKeyDMONYDOTDNIXON-XFUGJFOESA-N
MW582.78 g/mol
LogP7.60
Rot. Bonds9

About N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane

N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane (PubChem CID 168919287) has the molecular formula C34H48F2N4O2 and a molecular weight of 582.78 g/mol. Its IUPAC name is N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane.

Molecular Properties

Compound NameN-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane
PubChem CID168919287
Molecular FormulaC34H48F2N4O2
Molecular Weight582.78 g/mol
Exact Mass582.37
IUPAC NameN-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane
SMILESCC.CC.Cc1ccc(/C=C\CCC2CC(=O)NC(N)=N2)cc1C(CC(C)C)NC(=O)c1ccc2c(c1)CCC2(F)F
InChIInChI=1S/C30H36F2N4O2.2C2H6/c1-18(2)14-26(35-28(38)22-10-11-25-21(16-22)12-13-30(25,31)32)24-15-20(9-8-19(24)3)6-4-5-7-23-17-27(37)36-29(33)34-23;2*1-2/h4,6,8-11,15-16,18,23,26H,5,7,12-14,17H2,1-3H3,(H,35,38)(H3,33,34,36,37);2*1-2H3/b6-4-;;
InChIKeyDMONYDOTDNIXON-XFUGJFOESA-N
XLogP7.60
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.78
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane with MolForge

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Related Compounds

N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
CID 168918979
N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
CID 168919427
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-1,1-dimethyl-3,4-dihydroisochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 168919381
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
2-amino-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]pyridine-4-carboxamide
CID 95212966
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane?
The IUPAC name of N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane (CID 168919287) is N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane.
What is the SMILES notation for N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane?
The canonical SMILES for N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane is CC.CC.Cc1ccc(/C=C\CCC2CC(=O)NC(N)=N2)cc1C(CC(C)C)NC(=O)c1ccc2c(c1)CCC2(F)F.
What is the InChIKey of N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane?
The InChIKey is DMONYDOTDNIXON-XFUGJFOESA-N. The full InChI is InChI=1S/C30H36F2N4O2.2C2H6/c1-18(2)14-26(35-28(38)22-10-11-25-21(16-22)12-13-30(25,31)32)24-15-20(9-8-19(24)3)6-4-5-7-23-17-27(37)36-29(33)34-23;2*1-2/h4,6,8-11,15-16,18,23,26H,5,7,12-14,17H2,1-3H3,(H,35,38)(H3,33,34,36,37);2*1-2H3/b6-4-;;.
What are the key properties of N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane?
N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane has a molecular weight of 582.78 g/mol, XLogP of 7.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane is sourced from PubChem (CID 168919287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).